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Journal of Chemical Information and Modeling|May 13, 2009
Optical structure recognition software to recover chemical information: OSRA, an open source solutionIgor V Filippov, Marc C Nicklaus
Journal of Chemical Information and Computer Sciences|September 28, 2004
PROSIT: pseudo-rotational online service and interactive tool, applied to a conformational survey of nucleosides and nucleotidesGuangyu Sun, Johannes H Voigt, Igor V Filippov, et al.
Bioorganic & Medicinal Chemistry|April 24, 2013
Inhibitors for the hepatitis C virus RNA polymerase explored by SAR with advanced machine learning methodsIwona E Weidlich, Igor V Filippov, Jodian Brown, et al.
Journal of Chemical Information and Modeling|February 7, 2012
PDB ligand conformational energies calculated quantum-mechanicallyMarkus Sitzmann, Iwona E Weidlich, Igor V Filippov, et al.
Journal of Computational Chemistry|June 30, 2016
Using the gini coefficient to measure the chemical diversity of small-molecule librariesIwona E Weidlich, Igor V Filippov
Future Medicinal Chemistry|March 24, 2011
Computer tools in the discovery of HIV-1 integrase inhibitorsChenzhong Liao, Marc C Nicklaus
Journal of Chemical Information and Modeling|December 8, 2009
Comparison of nine programs predicting pK(a) values of pharmaceutical substancesChenzhong Liao, Marc C Nicklaus
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