Overview of Key ICM Features. NIBR - Emeryville July 10-11 2012. Introduction to MolSoft. Established in 1994 Privately owned Worldwide customer base in academia, pharma and biotech Many published success stories in comp bio & chem. Support. E-mail firstname.lastname@example.org
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NIBR - Emeryville
July 10-11 2012
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An, J., Totrov, M., and Abagyan, R. (2005). Pocketome Via Comprehensive Identification and Classification of Ligand Binding Envelopes. Mol Cell Proteomics 4, 752–761.
Arnautova YA, Abagyan RA, Totrov M. Development of a new physics-based internal coordinate mechanics force field and its application to protein loop modeling. Proteins. 2011 Feb;79(2):477-98.
A continuous, multi-component 3D potential that reflects preferences for various atomic properties at each point in space.
Totrov M. Ligand binding site superposition and comparison based on Atomic Property Fields: identification of distant homologues, convergent evolution and PDB-wide clustering of binding sites. BMC Bioinformatics. 2011 Feb 15;12 Suppl 1:S35.
Grigoryan AV, Kufareva I, Totrov M, Abagyan RA. Spatial chemical distance based on atomic property fields. J Comput Aided Mol Des. 2010 Mar;24(3):173-82.
Totrov M. Atomic property fields: generalized 3D pharmacophoric potential for automated ligand superposition, pharmacophore elucidation and 3D QSAR. ChemBiol Drug Des. 2008 Jan;71(1):15-27.
for success stories