Affiliation: Accelrys Inc
- Bioactive conformational generation of small molecules: a comparative analysis between force-field and multiple empirical criteria based methodsFang Bai
Department of Engineering Mechanics, State Key Laboratory of Structural Analysis for Industrial Equipment, Dalian University of Technology, Dalian 116023, PR China
BMC Bioinformatics 11:545. 2010....
- CAESAR: a new conformer generation algorithm based on recursive buildup and local rotational symmetry considerationJiabo Li
Accelrys Inc, 10188 Telesis Court, San Diego, California 92121, USA
J Chem Inf Model 47:1923-32. 2007..In addition, it is shown that CEASAR covers the pharmacophore space as well or better than Catalyst/FAST...
- New features that improve the pharmacophore tools from AccelrysJon Sutter
Accelrys, Inc, San Diego, CA 92121, USA
Curr Comput Aided Drug Des 7:173-80. 2011..Recently we also developed new pharmacophore tools in the area of structure based design - deriving pharmacophores from the receptor as well as the receptor-ligand complex - which will also be discussed in this paper...