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The Journal of Biological Chemistry|June 12, 2024
The SARS-CoV-2 nucleoprotein associates with anionic lipid membranesMandira Dutta, Yuan Su, Caroline B Plescia, et al.Journal of Chemical Theory and Computation|September 7, 2016
Transition-Tempered Metadynamics Is a Promising Tool for Studying the Permeation of Drug-like Molecules through MembranesRui Sun, James F Dama, Jeffrey S Tan, et al.The Journal of Physical Chemistry. B|December 7, 2010
Conformational switching between protein substates studied with 2D IR vibrational echo spectroscopy and molecular dynamics simulationsSayan Bagchi, Dayton G Thorpe, Ian F Thorpe, et al.Journal of the American Chemical Society|September 15, 2015
Propensity of Hydrated Excess Protons and Hydroxide Anions for the Air-Water InterfaceYing-Lung Steve Tse, Chen Chen, Gerrick E Lindberg, et al.Journal of Molecular Biology|December 31, 2011
Key structural features of the actin filament Arp2/3 complex branch junction revealed by molecular simulationJim Pfaendtner, Niels Volkmann, Dorit Hanein, et al.The Journal of Physical Chemistry. B|November 5, 2014
Hydrated Excess Protons Can Create Their Own Water WiresYuxing Peng, Jessica M J Swanson, Seung-gu Kang, et al.Journal of the American Chemical Society|October 25, 2024
Megamolecule Self-Assembly Networks: A Combined Computational and Experimental Design StrategyJiangbo Wu, Zhaoyi Gu, Justin A Modica, et al.Biorxiv : the Preprint Server for Biology|August 20, 2025
Reaching the full potential of cryo-EM reconstructions with molecular dynamics simulations at 310 K: Actin filaments as an exampleSahithya Sridharan Iyer, Kristina M Herman, Yihang Wang, et al.Nature Communications|February 23, 2022
Cooperative multivalent receptor binding promotes exposure of the SARS-CoV-2 fusion machinery coreAlexander J Pak, Alvin Yu, Zunlong Ke, et al.Biophysical Journal|September 2, 2008
A systematic methodology for defining coarse-grained sites in large biomoleculesZhiyong Zhang, Lanyuan Lu, Will G Noid, et al.Pageof 83