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Journal of Medicinal Chemistry|January 6, 1995
Relative binding free energies of peptide inhibitors of HIV-1 protease: the influence of the active site protonation stateX Chen, A TropshaJournal of Molecular Graphics & Modelling|February 23, 2002
Beware of q2!Alexander Golbraikh, Alexander TropshaJournal of Computer-Aided Molecular Design|December 20, 2002
Predictive QSAR modeling based on diversity sampling of experimental datasets for the training and test set selectionAlexander Golbraikh, Alexander TropshaMolecular Informatics|August 3, 2016
Using Graph Indices for the Analysis and Comparison of Chemical DatasetsDenis Fourches, Alexander TropshaProtein Engineering|January 1, 1992
Application of free energy simulations to the binding of a transition-state-analogue inhibitor to HIV proteaseA Tropsha, J HermansBioinformatics (Oxford, England)|August 13, 2003
Development of a four-body statistical pseudo-potential to discriminate native from non-native protein conformationsBala Krishnamoorthy, Alexander TropshaJournal of Chemical Information and Computer Sciences|January 28, 2003
QSAR modeling using chirality descriptors derived from molecular topologyAlexander Golbraikh, Alexander TropshaJournal of Chemical Theory and Computation|December 3, 2015
Calculation of the Relative Binding Affinity of Enzyme Inhibitors Using the Generalized Linear Response MethodXin Chen, Alexander TropshaPharmaceutical Research|October 7, 2020
A Systems Biology Workflow for Drug and Vaccine Repurposing: Identifying Small-Molecule BCG Mimics to Reduce or Prevent COVID-19 MortalityRima Hajjo, Alexander TropshaErnst Schering Foundation Symposium Proceedings|August 21, 2007
QSAR modeling of GPCR ligands: methodologies and examples of applicationsA Tropsha, S X WangPageof 33,890