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The compute cluster will be down for routine maintenance from June 23 until June 24. Most jobs will be queued until the cluster is back up.
Links
- IMP - Integrative Modeling Platform for comprehensive structural characterization of biomolecules. PoseScore and RankScore are implemented by the ligand_score application in IMP.
- ModWeb - a server for protein structure modeling.
- Gromacs - a versatile package to perform molecular dynamics, providing extremely high performance compared to all other programs.
- PatchDock - a server for rigid-body protein-protein docking.
- DOCK Blaster - a free service for running docking screens.
- ZINC - a free database of commercially-available compounds for virtual screening, containing over 14 million purchasable compounds in 3D formats.
- BLASTp - a free service for protein search.
- PyMOL - a molecular visualization system on an open-source foundation.
Fan H, Schneidman-Duhovny D, Irwin J, Dong GQ, Shoichet B, Sali A. Statistical Potential for Modeling and Ranking of Protein-Ligand Interactions. J Chem Inf Model. 2011, 51:3078-92. [ Abstract ]
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