LSM 3241 Bioinformatics and Biocomputing Lecture 7 Molecular

LSM 3241: Bioinformatics and Biocomputing Lecture 7: Molecular Modeling Software Prof. Chen Yu Zong Tel: 6516 -6877 Email: csccyz@nus. edu. sg http: //bidd. nus. edu. sg Room 07 -24, level 7, SOC 1, National University of Singapore

• Universal Molecular Modeling Software List at NIH : Links to List of modeling software home pages and catalogue of Web-resources of molecular modeling software programs at NIH • NAR web-server issue 2003, 2004: Each July, NAR publishes an issue of web-based bio-software that includes molecular modeling • Molecular modeling software developed at NUS: – PEARLS: Program of Energetic Analysis of Receptor Ligand System Mo. Vi. ES: Molecular Vibrations Evaluation Server 2

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Commercial Molecular Modeling Software at NUS • SYBYL: Molecular modeling, drug analysis and visualization software from Tripos. Installed in Computational Science and Pharmacy labs. • Insight II: Modeling and simulation software from Accelrys. Installed in Computational science lab. • Discover studio: a modeling, simulation, and informatics software from Accelrys. Two software, DS modeling and DS Viewer. Pro, installed in or licensed by life science labs. 5

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DS Modeling Select Move Clip Torsion Display style Default display style Fit to screen Solvent accessible surface 7

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Summary of Today’s lecture • Web-resources of molecular modeling software. • NUS molecular modeling software • DS Modeling 40