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Drug Discovery Today|September 11, 2007
The role of quantum mechanics in structure-based drug designKaushik Raha, Martin B Peters, Bing Wang, et al.Journal of the American Chemical Society|December 11, 2012
Energetics of zinc-mediated interactions in the allosteric pathways of metal sensor proteinsDhruva K Chakravorty, Trent M Parker, Alfredo J Guerra, et al.Journal of Computational Chemistry|May 10, 2012
Comment on "A minimal implementation of the AMBER-GAUSSIAN interface for ab initio QM/MM-MD simulation"Benjamin P Roberts, Gustavo M Seabra, Adrian E Roitberg, et al.Journal of Chemical Theory and Computation|August 18, 2022
JAX-ReaxFF: A Gradient-Based Framework for Fast Optimization of Reactive Force FieldsMehmet Cagri Kaymak, Ali Rahnamoun, Kurt A O'Hearn, et al.Medicine|January 21, 2026
Causal effects of modifiable risk factors on obstructive sleep apnea: A Mendelian randomization study and validation studyZhen LiHeliyon|June 3, 2024
Research on the action mechanism of certainty and uncertainty of experience in the consumption contextZhen LiActa Crystallographica. Section E, Structure Reports Online|November 8, 2011
7-Amino-1,8-naphthyridin-2(1H)-one monohydrateZhen LiCommunications Biology|November 21, 2018
Trapping intermediates in metal transfer reactions of the CusCBAF export pump of Escherichia coliKelly N Chacón, Jonathan Perkins, Zachary Mathe, et al.Journal of Chemical Theory and Computation|November 3, 2020
ReaxFF/AMBER-A Framework for Hybrid Reactive/Nonreactive Force Field Molecular Dynamics SimulationsAli Rahnamoun, Mehmet Cagri Kaymak, Madushanka Manathunga, et al.Pageof 741