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Journal of Chemical Theory and Computation|January 12, 2011
A Mixed QM/MM Scoring Function to Predict Protein-Ligand Binding AffinitySeth A Hayik, Roland Dunbrack, Kenneth M MerzExpert Opinion on Therapeutic Targets|November 12, 2014
Issues in interpreting the in vivo activity of Aurora-AElena Shagisultanova, Roland L Dunbrack, Erica A GolemisBioinformatics (Oxford, England)|May 8, 2007
BioDownloader: bioinformatics downloads and updates in a few clicksMaxim V Shapovalov, Adrian A Canutescu, Roland L DunbrackProteins|May 17, 2000
Large-scale comparison of protein sequence alignment algorithms with structure alignmentsJ M Sauder, J W Arthur, R L DunbrackJournal of Molecular Biology|April 18, 1997
Prediction of protein side-chain rotamers from a backbone-dependent rotamer library: a new homology modeling toolM J Bower, F E Cohen, R L DunbrackProteins|January 29, 2009
An unusually small dimer interface is observed in all available crystal structures of cytosolic sulfotransferasesBrian Weitzner, Thomas Meehan, Qifang Xu, et al.Biorxiv : the Preprint Server for Biology|February 27, 2026
Defining the Active Conformation of Typical Protein Kinase Domains from Substrate-Bound PDB Structures Enables Active-State AlphaFold2 Models for All 437 Human Catalytic Protein KinasesJoan Gizzio, Bulat Faezov, Qifang Xu, et al.Protein Science : a Publication of the Protein Society|August 22, 2003
A graph-theory algorithm for rapid protein side-chain predictionAdrian A Canutescu, Andrew A Shelenkov, Roland L DunbrackBioinformatics (Oxford, England)|October 5, 2006
ProtBuD: a database of biological unit structures of protein families and superfamiliesQifang Xu, Adrian Canutescu, Zoran Obradovic, et al.Structure (London, England : 1993)|January 13, 2015
The origin of CDR H3 structural diversityBrian D Weitzner, Roland L Dunbrack, Jeffrey J GrayPageof 17