Showing results (81-90 of 95) with videos related to
Sort By:
Pageof 10
Structural Dynamics (Melville, N.Y.)|July 14, 2021
Reproducibility of protein x-ray diffuse scattering and potential utility for modeling atomic displacement parametersZhen Su, Medhanjali Dasgupta, Frédéric Poitevin, et al.Acta Crystallographica. Section D, Structural Biology|January 5, 2023
Molecular-dynamics simulation methods for macromolecular crystallographyDavid C Wych, Phillip C Aoto, Lily Vu, et al.Proceedings of the National Academy of Sciences of the United States of America|February 20, 2003
Mechanisms associated with cGMP binding and activation of cGMP-dependent protein kinaseMichael E Wall, Sharron H Francis, Jackie D Corbin, et al.Journal of Chemical Theory and Computation|October 27, 2025
GPU-Accelerated Graph-Based Semiempirical Quantum ChemistryMaksim Kulichenko, Robert M Stanton, Cheng-Han Li, et al.The Journal of Chemical Physics|March 29, 2024
Hybrid programming-model strategies for GPU offloading of electronic structure calculation kernelsJean-Luc Fattebert, Christian F A Negre, Joshua Finkelstein, et al.Acta Crystallographica. Section D, Biological Crystallography|August 8, 2015
Predicting X-ray diffuse scattering from translation-libration-screw structural ensemblesAndrew H Van Benschoten, Pavel V Afonine, Thomas C Terwilliger, et al.Journal of the American Chemical Society|June 27, 2023
Water Networks in Photosystem II Using Crystalline Molecular Dynamics Simulations and Room-Temperature XFEL Serial CrystallographyMargaret D Doyle, Asmit Bhowmick, David C Wych, et al.Journal of Chemical Information and Modeling|October 6, 2025
Combining Reactive Quantum-Mechanical Molecular-Dynamics Simulations with Mutagenesis, Crystallography, and Enzyme Kinetics to Reveal Plausible Steps of Isocyanide Hydratase CatalysisRae A Corrigan Grove, Michael A Moxley, Christian F A Negre, et al.The Journal of Chemical Physics|June 24, 2016
Graph-based linear scaling electronic structure theoryAnders M N Niklasson, Susan M Mniszewski, Christian F A Negre, et al.Living Journal of Computational Molecular Science|January 23, 2026
Structure-Based Experimental Datasets for Benchmarking Protein Simulation Force Fields [Article v1.0]Chapin E Cavender, David A Case, Julian C-H Chen, et al.Pageof 10