Undergraduate Program in Computational Biology BComp (Computational Biology) by School of Computing Program Essential Module Descriptions CS1101 Programming Methodology Prerequisites: Soc – None; CFM – A-level Mathematics or its equivalent The aim of this module is to introduce students to the discipline of computing and to the problem solving process. The module stresses on good program design and good programming styles, and structured program development using a high-level programming language. Some basic concepts in procedural abstraction, structured programming and top-down design with stepwise refinement will be introduced. Topics to be covered include: algorithm design process, program development/coding/debugging, programming concepts in a high-level language including program structure, simple data types and structured types, various control structures (sequencing, loops, conditionals, etc.), and linear data structures, such as arrays and linked-lists. The utility of recursion will also be highlighted using a variety of sorting algorithms. Laboratory work is essential in this course. CS1101S Programming Methodology Prerequisites: None The aim and topics for this module are similar to those of CS1101. However, students taking this S-option will be given advanced assignments. To support such advanced study into selected topics, extra recitation classes will be scheduled. Advanced students, as determined by the School, can subscribe this S-option. CS1102 Data Structures and Algorithms Prerequisites: Pass CS1101 or CS1101C or CS1101S or IT1002 The aim of this module is to give a systematic introduction to data structures and algorithms for constructing efficient computer programs. Emphasis is on data abstraction issues (through ADTs) in the program development process, and on efficient implementations of chosen data structures and algorithms. Commonly used data structures covered include stacks, queues, trees (including binary search tree, heap and AVL trees), hashing tables, and graphs; together with their corresponding algorithms (tree and graph traversals, minimum spanning trees). Simple algorithmic paradigms, such as generate-and-test (search) algorithms, greedy algorithms and divide-and-conquer algorithms will be introduced. Elementary analyses of algorithmic complexities will also be taught. Laboratory work is essential in this course. CS1104 Computer Organization Prerequisites: CS1101 or CS1101S or A-level Computing. This course aims to familiarize students with the fundamental building blocks of computer systems. Students will learn the basic design of digital logic circuits. They will be exposed to the register-level architecture of a computer system. The basic building blocks of a computer system like CPU, memory, and I/O units are discussed. Students will gain a better understanding on how a high-level language program actually works inside a computer. Topics to be covered include: Binary system; Boolean algebra and logic gates; simplification of Boolean functions; adders, subtractors, and multiplexers; flip-flop and memory; registers and counters; basic organisation and von Neumann model; memory organisation; input/output; CPU structure and organisation; control unit; parallel organisation - multiprocessing and vector computation; RISC architecture; and comparison between RISC and CISC; overview of assembly language programming; representation of numeric and character data, types of instruction operators and operands; arithmetic and logic instructions; string and bit operations; arrays and addressing modes; branching and loops; procedures; input and output at the assembly level. CS1231 Discrete Structures Prerequistes: A-level Mathematics This module aims to introduce mathematical tools that are required in the study of computer science. Topics include: (1) Logic and proof techniques: propositions, conditionals, quantifications. Some formations of logic rules may be taught via the use of logic systems such as Natural deduction, sequent calculus, etc. (2) Relations and Functions: Equivalence relations and partitions. Partially and totally ordered sets. Well-Ordering Principle. Equality of functions. Boolean function. Identity function. Inverse functions. Bijection. (3) Mathematical formulation of data models (linear model, trees, graphs). (4) Counting and Combinatoric: Pigeonhole Principle. Inclusion-Exclusion Principle. Number of relations on a set, number of injections from one finite set to another, Diagonalisation proof: An infinite countable set has an uncountable power set; Algorithmic proof: An infinite set has a countably infinite subset. Subsets of countable sets are countable. CS1231S Discrete Structures (Accelerated) Prerequisites: A-level Mathematics Preclusion: MA1100 The module covers the same content as CS1231 Discrete Structures. It covers the topics at a faster pace, and provides more in-depth treatment in these topics. The module is aimed at students with stronger mathematics background. CS2102 Introduction to Database Systems Prerequisites: Pass CS1102 Preclusion: IT2002 The aim of this module is to provide students with the knowledge and understanding of basic issues and techniques in manipulating large volumes of data stored on secondary storage. The module covers manipulation of data stored on secondary storage, physical organisation of data, access methods that facilitate data retrieval, concepts of database management systems in manipulating large volume of shared data, principles of DBMS, particularly the relational database management systems and their use in application development, SQL language, and new developments in non-conventional data processing techniques. CS2103 Software Engineering Prerequisites: Pass CS1102 This module introduces the necessary conceptual and analytical tools for systematic and rigorous development of software systems. It covers four main areas of software development, namely object-oriented analysis, object-oriented design, implementation and testing, with emphasis on the design and implementation of software modules that work cooperatively to fulfill the requirements of a system. Tools and techniques for software development, such as Universal Modelling Language (UML), program specification, and testing methods, will be taught. Major software engineering issues such as modularisation criteria, program correctness, and software quality will also be covered. CS2105 Computer Networks I Prerequisites: Pass CS1102 & CS1104 This module introduces the basic principles and concepts of data communications and computer networks. Essential data communication knowledge required in the use and understanding of computer networks is first covered without resorting to mathematical approach. The layered architecture is introduced, and the services provided by each layer, the principles of the protocols that are responsible for providing those services, etc. are discussed. Emphasis is placed on general principles of protocol messaging, network multiple access control, error control, flow and congestion controls, routing, and etc. Important protocols used in local area networks and TCP/IP Internet are explained. CS2220 Introduction to Computational Biology Prerequisites: CS1102. LSM1102 highly recommended. The aim of this course is three folds. First, the course provides, from programmers’ viewpoint, an overview of common computational techniques used in the field of bioinformatics, including similarity operations, clustering and classification techniques, and techniques in gene recognition. Second, the basic theory behind these techniques will be covered. Last, but not least, the course demonstrates the role of bioinformaticians as a bridge between the field of computer science and biology, and prepares students for advanced computerscience topics relevant to bioinformatics. CS3225 Post-Genome Informatics Prerequisites: Pass CS2220 In the post-genome era, the genomic research is advanced to a new stage and many new biology areas are evolved, including proteomic, population genetics. This module aims to teach students the algorithms related to these areas. To achieve the aim, the module will discuss in detail the related problems and algorithms. For example, to learn proteomic, we will introduce the problems like De Novo Peptide sequencing, protein-protein interaction, etc. Then, we will let the students know the existing solutions and the algorithms behind those solutions. CS3230 Design and Analysis of Algorithms Prerequisites: Pass CS1102 This module is to teach students different techniques of designing and analysing algorithms. Students learn about the framework for algorithm analysis, for example, lower bound arguments, average case analysis, and the theory of NPcompleteness. In addition, students are exposed to various algorithm design paradigms. The module serves two purposes: To improve the students’ ability to design algorithms in different areas, and to prepare students for the study of more advanced algorithms. The module covers lower and upper bounds, recurrences, basic algorithm paradigms (such as prune-and-search, dynamic programming, branch-and-bound, graph traversal, and randomised approaches), amortized analysis, NP-completeness, and some selected advanced topics. CS4220 Computational Analysis of Biological Data Prerequisite: LSM1102 and ST2132 With the advancement of high throughput technologies, biologists are being overloaded with lots of information (e.g., gene expression data). To be able to make sense out of these data, there is a need to have a systematic way to analyze them. This course is introduced to provide students with knowledge of techniques that can be used to analyze biological data to enable them to discover new knowledge. Topics include: Clustering analysis, classification; Microarray analysis; Support vector machines; Hidden Markov Models (homology, gene finding). LSM1101 Biochemistry of Biomolecules Prerequisite: “A” level Biology or equivalent, or LSM1301 pH and buffers and an overview of the physical-chemical basis for the structures of biological molecules: nucleic acids, proteins, carbohydrates and lipids; their structure-function relationships. Enzyme kinetics and application of enzymes. Heme biosynthesis and metabolism. LSM1102 Molecular Genetics Prerequisite: “A” level Biology or equivalent, or LSM1301 Principles of genetics, covering heredity, phenotype and the molecular basis of heredity in prokaryotes, eukaryotes and man. Quantitative and population genetics with emphasis on gene pools, genetic variation and speciation. LSM2101 Metabolism and Regulation Prerequisite: A pass in LSM1101 Overview of the biosynthesis and catabolism of carbohydrates, proteins, nucleic acids and lipids in the context of human health and disease. Emphasis on the integration and regulation of metabolic pathways in different tissues and organs. Principles of bioenergetics and mitochondrial energy metabolism, free radicals, mitochondrial DNA damage in ageing and neurodegenerative diseases. LSM2102 Molecular Biology Prerequisite: Read LSM1101 and LSM1102 and pass one of them This module deals with the structure, organization and function of genes and genomes in both prokaryotes and eukaryotes. DNA topology, hierarchy of packaging of DNA in chromosomes and relationship to gene activity will be discussed. The functional roles of DNA regulatory elements (basal & upstream promoters, enhancers, silencers, locus control region, insulators & gene boundaries) and transcription factors (general- and sequence-specific factors, Zn fingers) involved in gene expression will be examined extensively. The molecular events of transcription; post-transcriptional modifications and RNA processing (eg: 5’capping, polyadenylation, RNA splicing mechanisms); temporal and spatial gene expression, control and regulation, signals of gene expression will be dealt with in detail. The cause and/or effect of dysfunction of gene expression and diseases will be discussed. LSM2104 Essential Bioinformatics and Biocomputing Prerequisite: A pass or advanced placement in LSM1101 Introduction to biological databases and bioinformatics software. Sequence comparison algorithms and tools. Biomolecular 3D structure and modeling. Students will be introduced to bioinformatics theory, tools, and techniques LSM2201 Experimental Biochemistry Prerequisite: LSM1101 Emphasis on principles and understanding of established methods of protein isolation, purification and characterization. Techniques include gel-filtration, ionexchange, hydrophobic interaction, affinity chromatography and gel electrophoresis. Integration of factual knowledge to laboratory practice. Opportunities to develop strategies in the design of experiments. Analysis and presentation of data LSM3231 Protein Structure and Function Prerequisite: LSM2101 The main objective is to provide a strong foundation in the study of protein structure and function. Structures and structural complexity of proteins and methods used to determine their primary, secondary and tertiary structures. Biological functions of proteins in terms of their regulatory, structural, protective and transport roles. The catalytic action of enzymes, their mechanism of action and regulation. Various approaches used in studying the structure-function relationship of proteins. LSM4241 Functional Genomics Prerequisite: LSM2104 and LSM3231 Assignment of functions to novel genes following from the genome-sequencing projects of human and other organisms. The principles underlying enabling technologies: DNA microchip arrays, proteomics, protein chips, yeast two-hybrid system, transgenics, aspects of bioinformatics and its applications. To understand the impact of functional genomics on the study of diseases such as cancer, drug target discovery, pharmacogenetics and healthcare . MA1102R Calculus Prerequisites: ‘A’ level Mathematics or its equivalent The objective of this module is to provide a rigorous but not necessarily in-depth coverage of calculus. It is a gentle introduction to the central concept of limit and its consequences. Students will understand the concepts underlying some of the common applications of calculus. With the aid of a computer algebra system, students will better learn the definitions through visualization, experimentation and exploration, know the terms involved in theorems and application and thus know how, where and when to apply calculus and explore different ways to solve problems. Critical thinking is encouraged by requiring precision in argument in both solution or proof. Students will learn to appreciate mathematics and its inner workings well. This module aims also to lay the foundations of analysis for students intending to major in mathematics as well as to broaden and enrich students’ perspective in mathematics. To this end a variety of supplementary materials and activities are provided to help cultivate an appreciation of calculus and enhance the learning process. ST2131 Probability Prerequisite: MA1102 or GM1304 or GM1307 or SA1102 Counting methods, sample space and events, axioms of probability, conditional probability, independence, random variables, discrete and continuous distributions, joint and marginal distributions, conditional distribution, independence of random variables, expectation, conditional extectation, moment generating function, central limit theorem, the weak law of large numbers. ST2132 Mathematical Statistics Prerequisite: ST2131 Random sample and statistics, method of moments, maximum likelihood estimate, Fisher information, sufficiency and completeness, consistency and unbiasedness, sampling distributions, 2 -, t- and F-distributions, confidence intervals, exact and asymptotic pivotal method, concepts of hypothesis testing, likelihood ratio test, Neyman-Pearson lemma. CM1121 Basic Organic Chemistry (Essential) (4 MC) Prerequisite : ‘AO’ level pass in chemistry or equivalent. This module covers the characteristic properties, methods of preparation, and reactions of alkanes/cycloalkanes, alkenes, alkynes, benzene and other aromatic compounds, alkyl halides; alcohols; ethers; epoxides, phenols, aldehydes and ketones; carboxylic acids and their derivatives; amines. PC1221 Fundamentals of Physics I Prerequisite: O level pass in Physics or equivalent (Antirequisite: A or AO level pass in Physics or equivalent, or PC1131, or PC1132) Vectors, linear motion, velocity, acceleration, equations of kinematics, linear momentum, conservation of energy and linear momentum, forces, laws of motion and applications, work, energy, power, conservation laws, gravitation, circular motion, temperature, zeroth law, first law of thermodynamics, heat, heat capacity, ideal gas laws, thermal expansion of solids and liquids, work and heat transfer in thermodynamic processes. MA2214 Combinatorial Analysis (4 MC) Prerequisite: MA1100 or MA1101 or CS1231 Basic tools of combinatorics, binomial and multinomial coefficients, principle of inclusion and exclusion, ordinary and exponential generating functions, recurrence relations. Program Elective Module Descriptions CS3232 Systems Modeling and Simulation Prerequisites: Pass ST1232 or ST2131 or ST2334 This module provides students with the methodology and techniques that are required for the planning and design of computer simulation models. At the end of the module, the students should be able to carry out a study of a system using simulation. Topics include: overview of ways to study a system; simulation modelling; concepts, components and organisation of discrete-event simulation; random number and random variate generators; input data collection; modelling and analysis; model verification and validation; output analysis; design of simulation experiments; examples of systems models from science and business; and overview of parallel discrete-event simulation. A simulation language will be covered in detailed, with a large simulation exercise to be carried out. CS3241 Computer Graphics Prerequisites: CS1102 This module teaches some graphics hardware devices, reviews the mathematics related to the understanding, and discusses the fundamental areas of computer graphics. After completing the course, students are expected to understand the basic computer graphics terminology and concepts, and to be able to design and implement simple 2D and 3D interactive computer graphics related programs. As an enrichment part of the course, students are introduced the state-of-the-art development in computer graphics by viewing interesting video clips and experimenting with demo program made available in the course web. CS3243 Foundations of Artificial Intelligence Prerequisites: Pass CS1102 and (CS1231 or CS1231S) The module introduces students to the basic concepts in search and knowledge representation as well as to a number of sub areas of artificial intelligence. It will provide them with a good foundation and overview of the discipline. The emphasis of the module is on covering the essential concepts in AI. The module covers Turing test, blind search, iterative deepening, production systems, heuristic search, A* algorithm, minimax and alpha-beta procedures, predicate and first-order logic, resolution refutation, non-monotonic reasoning, assumptionbased truth maintenance systems, inheritance hierarchies, the frame problem, certainly factors, Bayes' rule, frames and semantic nets, planning, learning, natural language, vision, and expert systems and LISP. CS3244 Machine Learning and Neural Networks Prerequisites: CS3243 This module introduces basic concepts and algorithms in machine learning and neural networks. The main reason for studying computational learning is to make better use of powerful computers to learn knowledge (or regularities) from the raw data. The ultimate objective is to build self-learning systems to relieve human from some of already-too-many programming tasks. At the end of the course, students are expected to be familiar with the theories and paradigms of computational learning, and capable of implementing basic learning systems. CS4221 Database Design Prerequisites: CS2102/CS2102S The aim of this module is to provide students with the knowledge necessary to design relational databases and object oriented databases. The module covers normalisation theory: functional, multi-valued and join dependency, normal forms, relational database schema design using decomposition method and synthesizing method, eg., Bernstein's Algorithm and LTK's Algorithm; entityrelationship approach: normal form entity-relationship Diagram, convert entityrelationship diagrams to normal form entity-relationship diagrams, translate entity-relationship diagrams to relational, network, and hierarchical database schemas; schema integration: view integration and database integration, schema conflict resolution; nested relations: normal form nested relations, nested relations design using decomposition method and entity-relationship approach; object-oriented databases: object-oriented DBMS concepts, inadequacies in object-oriented data models, inheritance conflict resolution, translate relational database schemas and entity-relationship diagrams to object-oriented database schemas. CS4234 Combinatorial and Graph Algorithms Prerequisites: CS3230 This module presents advanced material on the design and analysis of combinatorial algorithms with emphasis on efficient algorithms and data structures. This module is meant for students who intend to (i) do research in computer science in general, and algorithm design in particular, or (ii) do advanced application/software development in other areas of computer science. The module covers a wide range of standard combinatorial and graph algorithms, including advanced data structures commonly used in these algorithms. Some of the topics that may be covered include, advanced data structures, graph algorithms, matching and network flow, theory of NP-Completeness, combinatorial algorithms, geometric algorithms, mathematical programming, probabilistic algorithms and Meta-Heuristic search methods. CS4235 Computational Geometry Prerequisites: CS3230 and MA1101R Computational geometry is the study of algorithms for solving geometric problems. This course introduces the main topics and techniques in this field. They will be presented in connection with applications in CAD, databases, geographic information systems, graphics and robotics. Students will learn the main algorithmic techniques for solving geometric problems and the related discrete geometric structures. At the end of this module, students will be able to design and analyse geometric algorithms and data structures, and to apply these techniques to solve problems arising in applications. CS4242 Uncertainty Modeling in Artificial Intelligence Prerequisites: Pass (CS1231 or CS1231S) and (ST1232 or ST2131 or ST2334) and CS3243 This module introduces AI models for representation and reasoning of knowledge in uncertain (real world) situations. Reasoning based on probability theory and fuzzy theories to cope with typical real-world situations are studied. The module is divided into two parts. The first part covers development of Bayesian network for knowledge representation. This representation facilitates modelling uncertainty reasoning in real-world situation as well as development of machine learning for knowledge acquisition in complex knowledge domains. The second part covers use of fuzzy sets and fuzzy logic as knowledge representation for modelling human approximate reasoning in real-world situations. CS4240 Virtual Reality and 3D Interaction Prerequisites: CS3241 The objective of this module is to expose students to advanced 3D interactive techniques by focusing on a set of selective subjects: fundamentals of virtual reality, immersing devices (HMD, Gloves, magnetic trackers, stereo glasses and other forces) and multi-user systems, techniques for real time or fix frame rate simulation such as scene/object culling, representations of level of details (LOD), and various image based rendering methods based on the dimensionality of the Plenoptic function and related sampling and re-sampling issues. CS4244 Knowledge-Based Systems Prerequisites: CS3243 This is a module that contains both the theory and practice of building knowledge-based systems. The aim of this module is to prepare students so that they can design and build knowledge-based systems to solve real-world problems. The module starts with motivations, background and history of knowledge-based system development. The main content has five parts: rulebased programming language, uncertainty management, knowledge-based systems design, development and life cycle, efficiency in rule-based language and knowledge-based systems design examples. MA3259 Mathematical Methods in Genomics Prerequisite: MA2216or ST2131 or ST2334 or LS1104. Knowledge of genetics is required. Primers in molecular biology. Sequence assembly, sequence comparison, multiple alignment, finding signals in DNA, gene prediction, genome rearrangements, phylogenetic reconstruction, computational proteomics. ST3236 Stochastic Processes 1 Prerequisite: (MA1101 or GM1302) or (ST2131 or MA2216) This module introduces the concept of modelling dependence and focuses on discrete-time Markov chains. Topics include discrete-time Markov chains, examples of discrete-time Markov chains, classification of states, irreducibility, periodicity, first passage times, recurrence and transience, convergence theorems and stationary distributions. ST4238 Stochastic Processes 2 Prerequisites: MA3238 or ST3236 This module builds on ST3236 and introduces an array of stochastic models with real-world applications. Topics include Poisson process. Continuous-time Markov chains, examples of continuous-time Markov chain, birth and death processes, queing theory. ST3131 Regression Analysis (Essential, 4 MC) Prerequisites: ST2131 or MA2216 or ST2334 This module focuses on data analysis using multiple regression models. Topics include simple linear regression, multiple regression, model building and regression diagnostics. LSM2103 Cell Biology Prerequisite: Read LSM1101 and LSM1102 and pass one of them This course provides a comprehensive understanding of cellular structures, functions and interaction in unicellular and multi-cellular systems. Emphasis is on cellular functions with the following topics: Brief overview of the structure and functions of organelles, the molecular basis for cell and tissue organization (cell surface; extracellular matrix; cell wall; cell adhesion; cell junctions), cytoskeleton and cell movements, current concepts of intercellular and intracellular signaling, protein synthesis, post-translational modifications & and intracellular protein trafficking – (including endocytosis; exocytosis; import of proteins into organelles; nuclear transport), molecular basis of cell proliferation, senescence and apoptosis. LSM2202 Experimental Molecular and Cell Biology Prerequisite:Read LSM1101 and LSM1102 and pass one of them. Must be read with LSM2102 or LSM2103. Introduction to the theory and application of techniques relevant to molecular and cell biology. Mammalian cell culture, growth curve / cycles of bacteria, bacteriophage and eukaryotes. Emphasis on general recombinant DNA techniques, isolation of mRNA, synthesis of cDNA, making cDNA libraries, screening of cDNA and genomic libraries; polymerase chain reaction (PCR), and RNA Northern blots for analysis of gene expression. LSM3222 Human Genetic and Infectious Diseases Prerequisite: LSM2101 and (LSM 2102 or LSM 2103) Overview of the molecular and cellular basis of human genetic and infectious diseases. Different paradigms of human genetic diseases and genetic aspects of some common complex diseases: familial hypercholesterolemia, coronary heart disease, Alzheimer’s diseases. Roles of oncogenes and tumour suppressor genes in cell cycle control and apoptosis, predisposition to cancer and other genetic diseases. Infectious diseases worldwide and specifically within the context of Singapore. Emphasis on principles of human genetics in understanding human health and disease and to appreciate the principles of medical microbiology in the diagnosis and treatment of human infectious diseases. LSM3223 IMMUNOLOGY Prerequisite: LSM2103 This course provides the central concepts of immunology and the foundation for understanding how immunity functions. The subjects of innate immunity and haematopoiesis introduce the origin and role of different cell types in immunity. The mechanics of how the body protects itself from disease are explored in relation to T and B cell biology, monoclonal antibodies, cytokines, major histocompatibility complex and antigen presentation. Other topics include hypersensitivity, immunodeficiencies, tolerance, autoimmunity, resistance and immunization to infectious diseases. LSM3243 Molecular Biophysics Prerequisite: LSM1101 and LSM3231 Introduction to the conformation of biological macromolecules. Biophysical characterization of proteins, nucleic acids and biological membranes. To understand their biological function and action at the molecular level in terms of their structure, dynamics and interactions. The protein folding, protein-protein, protein-nucleic acid and protein-lipid interactions. Biophysical techniques used in studying biological structure and function. LSM4231 Structural Biology (Elective, 3MC) Prerequisite: LSM3241/CS2220 and LSM3243 Introduction to structural biology of proteins and nucleic acids. Emphasis on the theory, applications and limitations of major techniques used in determining three-dimensional structures: nuclear magnetic resonance spectroscopy, X-ray diffraction, cryo-electron microscopy and molecular modeling methods. CZ2105 Numerical Methods I Modular Credits: 4 Workload: 1.5-1.5-1-3-4 Pre-requisite(s): (CZ1102 or CS1101C), {MA1102R and MA1101R} or (MA1505 or MA1505C) Introduction to methods used to numerically approximate solutions of a variety of mathematical and physical problems. Includes: generation and propagation of round-off errors and convergence criteria, solutions of linear systems, function approximation and interpolation, special function evaluation, fitting/modeling of data, numerical differentiation & integration, and minimization & maximization of functions. CZ3102 Scientific Modeling Modular Credits: 4 Workload: 1.5-1.5-1-3-4 Pre-requisite(s): CZ3105 Methods for developing models that represent physical, biological, and social systems, including use of dimensional analysis, empirical data, approximation levels of models, and model validation. Emphasis will be on eventual development of computational models and on the use of prototyping software environments. Examples include least-square fitting, dynamical processes described using rate equations (ordinary differential equations), and modeling of stochastic (Markov) processes. CZ3105 Numerical Methods II Modular Credits: 4 Workload: 1.5-1.5-1-3-4 Pre-requisite(s): CZ2105 and any of {MA2221, MA1104, MA1506, MA1506C} Provides skills for the development of efficient computational methods for several topics including: systems of linear and nonlinear equations; matrix methods and eigenvalues from physical problems such as vibrating springs; ordinary differential equations- initial and boundary value problems; and Fourier series/transform methods. CZ3253 Computer Aided Drug Design Modular Credits: 4 Workload: 2-1-2-2-3 Pre-requisit(s): CZ2251/LSM2104 3D structure and function of biomolecules. The targets of drugs and design principles. Genetic algorithms and quantitative structure-activity relationships. Chemical compound. Databases and search tools. Interactive graphics in drug design. Molecular surfaces and Algorithm of automated docking of drugs into receptor sites. Introduction to docking Software package DOCK. CZ4102 High Performance Computing Modular Credits: 4 Workload: 2-1-2-3-3 Pre-requisite(s): CZ3105 Introduction to high-performance computing, including comparison of parallel architecture (vector/distributed) and software environments (threads vs. MPI), performance analysis of programs, algorithms in scientific computations (matrix multiplication, linear systems), use of parallel software libraries. CZ4105 Computational Differential Equations Modular Credits: 4 Workload: 2-1-2-3-3 Pre-requisite(s): CZ3105 Matrix techniques used in numerical solutions of differential equations; advanced techniques for ordinary differential equations. Physical and mathematical principles leading to partial differential equations, such as locality, conservation laws, and variational principles, and introduction to numerical methods for them (finite difference and spectral methods). CZ4225 Methods in Computational Biology Modular Credits: 3 Workload: 2-1-2-2-2 Pre-requisite: CZ3252 Proteins: sequence => structure => function. Protein structural organizations and families. Basic modeling and simulation techniques. Protein structural modeling: homology modeling, threading, ab initio methods. Cell as a complex machine: Genetic and protein circuits (pathways). Development of a mathematical model of pathways. Computer simulation of pathways. CZ4226 Advanced Bioinformatics Modular Credits: 3 Workload: 2-1-2-2-2 Pre-requisite(s): CZ3252 Overview of bioinformatics and its role in biology. Protein sequence analysis algorithms. Sequence comparison and scoring functions: PAM, BLOSUM, Motifs. Prediction of Protein function and Protein-Protein Binding. Protein Structural prediction methods.