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Computer Physics Communications|June 20, 2014
Generalized Scalable Multiple Copy Algorithms for Molecular Dynamics Simulations in NAMDWei Jiang, James C Phillips, Lei Huang, et al.Nature Communications|April 7, 2022
Metal-responsive regulation of enzyme catalysis using genetically encoded chemical switchesYasmine S Zubi, Kosuke Seki, Ying Li, et al.Science Advances|September 14, 2019
Mechanism of the allosteric activation of the ClpP protease machinery by substrates and active-site inhibitorsJan Felix, Katharina Weinhäupl, Christophe Chipot, et al.Rheumatology Advances in Practice|February 29, 2024
A rare form of calcinosis in patients with systemic sclerosis-myositis overlap: report of four casesSheilla Achieng, Jonathan Harris, Muditha Samaranayaka, et al.The Journal of Physical Chemistry. B|May 18, 2011
Gramicidin A backbone and side chain dynamics evaluated by molecular dynamics simulations and nuclear magnetic resonance experiments. I: molecular dynamics simulationsHelgi I Ingólfsson, Yuhui Li, Vitaly V Vostrikov, et al.ACS Applied Materials & Interfaces|October 5, 2018
Amphiphile-Induced Phase Transition of Liquid Crystals at Aqueous InterfacesHadi Ramezani-Dakhel, Mohammad Rahimi, Joel Pendery, et al.Nature Communications|March 24, 2022
A distinct mechanism of C-type inactivation in the Kv-like KcsA mutant E71VAhmed Rohaim, Bram J A Vermeulen, Jing Li, et al.The Journal of General Physiology|November 28, 2012
Intermediate state trapping of a voltage sensorJérôme J Lacroix, Stephan A Pless, Luca Maragliano, et al.Journal of Chemical Theory and Computation|October 28, 2020
CHARMM-GUI Free Energy Calculator for Absolute and Relative Ligand Solvation and Binding Free Energy SimulationsSeonghoon Kim, Hiraku Oshima, Han Zhang, et al.Nature|November 8, 2018
Conformational transitions of the serotonin 5-HT3 receptorLucie Polovinkin, Ghérici Hassaine, Jonathan Perot, et al.Pageof 59