LSM3241: Bioinformatics and Biocomputing Lecture 7: Molecular Modeling Software Prof. Chen Yu Zong Tel: 6516-6877

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LSM3241: Bioinformatics and Biocomputing Lecture 7: Molecular Modeling Software Prof. Chen Yu Zong Tel: Room 07-24, level 7, SOC1, National University of Singapore

2 Web-resources of molecular modeling software Universal Molecular Modeling Software List at NIH : Links to List of modeling software home pages and catalogue of programs at NIHUniversal Molecular Modeling Software List at NIH NIH NAR web-server issue 2003, 2004:NAR web-server issue 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 MoViES: Molecular Vibrations Evaluation ServerPEARLS: Program of Energetic Analysis of Receptor Ligand System MoViES: Molecular Vibrations Evaluation Server

3 PEARLS

4 MoViES

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

6 DS Modeling

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

8 DS Modeling

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