Major New Features in MOE 2011.10
Major New Features in PSILO 2011.09
Journal Articles
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Scaffold Replacement in MOE
S. Grimshaw
A new application for performing scaffold replacements, fragment linking, and R-group optimization is presented. The application is applied to the discovery of novel p38 MAP kinase inhibitors, using the structures of a screening hit and the mature BIRB-796 inhibitor as starting points.
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Training a Scoring Function for the Alignment of Small Molecules
S. L. Chan and P. Labute
A comprehensive data set of aligned ligands with highly similar binding pockets from the Protein Data Bank has been built. Based on this data set, a scoring function for recognizing good alignment poses for small molecules has been developed.
J Chem Inf Model, 2010, 50 (9), pp 1724-1735

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Pocket Similarity: Are α Carbons Enough?
H. J. Feldman and P. Labute
A novel method for measuring protein pocket similarity was devised, using only the α carbon positions of the pocket residues.
J Chem Inf Model, 2010, 50 (8), pp 1466-1475

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SVL Exchange
The Scientific Vector Language (SVL) code exchange is a site for
the MOE™ user community.
SVL Exchange
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News
December 15, 2011
Chemical Computing Group Announces the New Version of Molecular Operating Environment - MOE 2011.10
September 27, 2011
Chemical Computing Group Announces the New Version of its Protein Structure Database System: PSILO
July 21, 2011
Chemical Computing Group Announces Winners of the CCG Excellence Award for the Fall 2011 ACS National Meeting
May 20, 2011
QuantumBio Inc. and Chemical Computing Group, Inc. Announce the Release of the DivCon Discovery Suite for the Molecular Operating Environment (MOE)
March 04, 2011
Chemical Computing Group Announces Winners of the CCG Excellence Award for the Spring 2011 ACS National Meeting
more news |
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