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The Biochemical Journal|June 8, 2026
Defining Active Conformations from Substrate-Bound Structures Enables Active-State AlphaFold2 Modeling of All 437 Human Catalytic Protein Kinase DomainsJoan 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 GrayMabs|November 12, 2020
Hiding in plain sight: structure and sequence analysis reveals the importance of the antibody DE loop for antibody-antigen bindingSimon P Kelow, Jared Adolf-Bryfogle, Roland L DunbrackJournal of Molecular Graphics & Modelling|March 11, 2017
Binding affinity of pro-apoptotic BH3 peptides for the anti-apoptotic Mcl-1 and A1 proteins: Molecular dynamics simulations of Mcl-1 and A1 in complex with six different BH3 peptidesVivek Modi, Ramasubbu SankararamakrishnanProteins|November 13, 2013
Antiapoptotic Bcl-2 homolog CED-9 in Caenorhabditis elegans: dynamics of BH3 and CED-4 binding regions and comparison with mammalian antiapoptotic Bcl-2 proteinsVivek Modi, Ramasubbu SankararamakrishnanMolecular and Cellular Biology|December 4, 2013
Acetylation of the transcriptional repressor Ume6p allows efficient promoter release and timely induction of the meiotic transient transcription program in yeastMichael J Law, Michael J Mallory, Roland L Dunbrack, et al.Methods in Molecular Biology (Clifton, N.J.)|December 21, 2011
Assignment of protonation states in proteins and ligands: combining pKa prediction with hydrogen bonding network optimizationElmar Krieger, Roland L Dunbrack, Rob W W Hooft, et al.The Journal of Biological Chemistry|June 10, 2003
A structural basis for half-of-the-sites metal binding revealed in Drosophila melanogaster porphobilinogen synthaseLenka Kundrat, Jacob Martins, Linda Stith, et al.Pageof 14