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- Jul 1, 2022
ePharmaLib: A Versatile Library of e-Pharmacophores to Address Small-Molecule (Poly-)Pharmacology
Aur’lien F. A. Moumbock, et al. JCIM, 2022, 61(7), 3659-3666- Publication
- Apr 16, 2020
A Reliable and Accurate Solution to the Induced Fit Docking Problem for Protein-Ligand Binding
Miller, et al. ChemRxiv, 2020, Preprint, 1- Publication
- Oct 17, 2018
A Comprehensive Ligand Based Mapping of the ‘2 Receptor Binding Pocket
Rhoades, et al. Med Chem., 2014, 10(1), 98 – 121- Publication
- Feb 15, 2017
Identification of Novel Fluorescent Probes Preventing PrPSc Replication in Prion Diseases
Zaccagnini, et al. European Journal of Medicinal Chemistry, 2017, 127 (15), 859-873- Publication
- Aug 26, 2016
Discovery and Structure Activity Relationships of a Highly Selective Butyrylcholinesterase Inhibitor by Structure-Based Virtual Screening
Dighe, et al. J. Med. Chem., 2016, 59, 7683-7689- Publication
- Sep 8, 2015
IDSite: An Accurate Approach to Predict P450-Mediated Drug Metabolism
Li, et al. J. Chem. Theory Comput., 2011, 7, 3829-3845- Publication
- Sep 8, 2015
Discovery of Thienoquinolone Derivatives as Selective and ATP Non-Competitive CDK5/p25 Inhibitors by Structure-Based Virtual Screening
Chatterjee, et al. Bioorg. Med. Chem., 2014, 22, 6409-6421- Publication
- Sep 8, 2015
Optimization, Pharmacophore Modeling and 3D-QSAR Studies of Sipholanes as Breast Cancer Migration and Proliferation Inhibitors
Foudah, et al. Eur. J. Med. Chem., 2014, 73, 310-324- Publication
- Sep 8, 2015
Multiple e-pharmacophore modeling combined with high-throughput virtual screening and docking to identify potential inhibitors of ‘-Secretase(BACE1)
Palakurti, et al. Mol. Inf., 2013, 32, 385-398- Publication
- Sep 8, 2015
PHASE: A Novel Approach to Pharmacophore Modeling and 3D Database Searching
Dixon, et al. Chem. Biol. Drug Des., 2006, 67, 370-372- Publication
- Sep 8, 2015
PHASE: A New Engine for Pharmacophore Perception, 3D QSAR Model Development, and 3D Database Screening. 1. Methodology and Preliminary Results
Dixon, et al. J. Comput. Aided Mol. Des., 2006, 20, 647-671- Publication
- Sep 8, 2015
3D QSAR Methods: Phase and Catalyst Compared
Evans, et al. J. Chem. Inf. Model, 2007, 47, 1248-1257
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