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Journal of Chemical Information and Modeling|February 26, 2015
The impact of side-chain packing on protein docking refinementMohammad Moghadasi, Hanieh Mirzaei, Artem Mamonov, et al.Frontiers in Bioinformatics|September 4, 2023
Improved prediction of MHC-peptide binding using protein language modelsNasser Hashemi, Boran Hao, Mikhail Ignatov, et al.Journal of the American Chemical Society|November 19, 2011
Robust identification of binding hot spots using continuum electrostatics: application to hen egg-white lysozymeDavid H Hall, Laurie E Grove, Christine Yueh, et al.Proceedings of the National Academy of Sciences of the United States of America|November 20, 2024
Predicting multiple conformations of ligand binding sites in proteins suggests that AlphaFold2 may remember too muchMaria Lazou, Omeir Khan, Thu Nguyen, et al.Proteins|September 7, 2010
Achieving reliability and high accuracy in automated protein docking: ClusPro, PIPER, SDU, and stability analysis in CAPRI rounds 13-19Dima Kozakov, David R Hall, Dmitri Beglov, et al.Nature Chemical Biology|July 21, 2014
How proteins bind macrocyclesElizabeth A Villar, Dmitri Beglov, Spandan Chennamadhavuni, et al.Proteins|August 14, 2009
Structural insights into recognition of beta2-glycoprotein I by the lipoprotein receptorsDmitri Beglov, Chang-Jin Lee, Alfredo De Biasio, et al.Proceedings of the National Academy of Sciences of the United States of America|April 29, 2015
Ligand deconstruction: Why some fragment binding positions are conserved and others are notDima Kozakov, David R Hall, Stefan Jehle, et al.Journal of Medicinal Chemistry|July 6, 2019
Kinase Atlas: Druggability Analysis of Potential Allosteric Sites in KinasesChristine Yueh, Justin Rettenmaier, Bing Xia, et al.Journal of Chemical Theory and Computation|October 21, 2014
Efficient Maintenance and Update of Nonbonded Lists in Macromolecular SimulationsRezaul Chowdhury, Dmitri Beglov, Mohammad Moghadasi, et al.Pageof 33