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Journal of the American Chemical Society|January 30, 2004
A quantum mechanics-based scoring function: study of zinc ion-mediated ligand bindingKaushik Raha, Kenneth M MerzJournal of Medicinal Chemistry|July 8, 2005
Large-scale validation of a quantum mechanics based scoring function: predicting the binding affinity and the binding mode of a diverse set of protein-ligand complexesKaushik Raha, Kenneth M MerzJournal of the American Chemical Society|September 16, 2004
Pose scoring by NMRBing Wang, Kaushik Raha, Kenneth M MerzCurrent Opinion in Drug Discovery & Development|May 30, 2006
Quantum mechanics in structure-based drug designMartin B Peters, Kaushik Raha, Kenneth M MerzDrug Discovery Today|September 11, 2007
The role of quantum mechanics in structure-based drug designKaushik Raha, Martin B Peters, Bing Wang, et al.Journal of the American Chemical Society|May 5, 2005
Pairwise decomposition of residue interaction energies using semiempirical quantum mechanical methods in studies of protein-ligand interactionKaushik Raha, Arjan J van der Vaart, Kevin E Riley, et al.Accounts of Chemical Research|August 8, 2014
Using quantum mechanical approaches to study biological systemsKenneth M MerzJournal of Chemical Theory and Computation|May 15, 2010
Limits of Free Energy Computation for Protein-Ligand InteractionsKenneth M MerzBiochemistry|August 30, 2021
Formation of the Metal-Binding Core of the ZRT/IRT-like Protein (ZIP) Family Zinc TransporterGaurav Sharma, Kenneth M MerzJournal of Chemical Theory and Computation|March 25, 2014
Taking into Account the Ion-induced Dipole Interaction in the Nonbonded Model of IonsPengfei Li, Kenneth M MerzPageof 24