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Journal of Chemical Theory and Computation|August 16, 2023
Worth the Weight: Sub-Pocket EXplorer (SubPEx), a Weighted Ensemble Method to Enhance Binding-Pocket Conformational SamplingErich Hellemann, Jacob D DurrantBiorxiv : the Preprint Server for Biology|May 30, 2023
Worth the weight: Sub-Pocket EXplorer (SubPEx), a weighted-ensemble method to enhance binding-pocket conformational samplingErich Hellemann, Jacob D DurrantProtein Science : a Publication of the Protein Society|March 12, 2023
Allosteric inhibition of TEM-1 β lactamase: Microsecond molecular dynamics simulations provide mechanistic insightsErich Hellemann, Amrita Nallathambi, Jacob D DurrantBioinformatics (Oxford, England)|June 20, 2020
Webina: an open-source library and web app that runs AutoDock Vina entirely in the web browserYuri Kochnev, Erich Hellemann, Kevin C Cassidy, et al.Plos Computational Biology|March 2, 2022
Novel mutation in hexokinase 2 confers resistance to 2-deoxyglucose by altering protein dynamicsErich Hellemann, Jennifer L Walker, Mitchell A Lesko, et al.Bioinformatics (Oxford, England)|November 28, 2018
BlendMol: advanced macromolecular visualization in BlenderJacob D DurrantChemistry (Weinheim an Der Bergstrasse, Germany)|January 17, 2018
New Stretching Method for Aligning Gels: Its Application to the Measurement Residual Chemical Shift Anisotropies (RCSAs) without the Need for Isotropic Shift CorrectionErich Hellemann, Roberto R GilJournal of Computer-Aided Molecular Design|August 25, 2022
Prot2Prot: a deep learning model for rapid, photorealistic macromolecular visualizationJacob D DurrantJournal of Cheminformatics|August 25, 2022
FPocketWeb: protein pocket hunting in a web browserYuri Kochnev, Jacob D DurrantJournal of Computational Chemistry|December 28, 2017
Pyrite: A blender plugin for visualizing molecular dynamics simulations using industry-standard rendering techniquesNivedita Rajendiran, Jacob D DurrantPageof 9