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Pharmaceuticals (Basel, Switzerland)|July 27, 2024
Structure-Based Identification of Novel Histone Deacetylase 4 (HDAC4) InhibitorsRupesh Agarwal, Pawat Pattarawat, Michael R Duff, et al.
Environmental Science & Technology|August 15, 2017
Modeling of the Passive Permeation of Mercury and Methylmercury Complexes Through a Bacterial Cytoplasmic MembraneJing Zhou, Micholas Dean Smith, Connor J Cooper, et al.
Journal of the American Chemical Society|February 19, 2010
Mechanism and kinetics of peptide partitioning into membranes from all-atom simulations of thermostable peptidesMartin B Ulmschneider, Jacques P F Doux, J Antoinette Killian, et al.
Journal of Chemical Information and Modeling|September 4, 2025
Nanopolysaccharide Builder: A User-Friendly Tool for Atomistic Models of Polysaccharide-Based NanostructuresZhangmin Wan, Yan Yu, Gio Ferson M Bautista, et al.
Journal of Chemical Information and Modeling|November 12, 2013
Impact of resistance mutations on inhibitor binding to HIV-1 integraseQi Chen, John K Buolamwini, Jeremy C Smith, et al.
Biophysical Journal|May 17, 2005
Enzyme activity and flexibility at very low hydrationV Kurkal, R M Daniel, John L Finney, et al.
Proceedings of the National Academy of Sciences of the United States of America|March 4, 2011
Dynamical fingerprints for probing individual relaxation processes in biomolecular dynamics with simulations and kinetic experimentsFrank Noé, Sören Doose, Isabella Daidone, et al.
The Journal of Physical Chemistry. B|April 6, 2012
Radical coupling reactions in lignin synthesis: a density functional theory studyAmandeep K Sangha, Jerry M Parks, Robert F Standaert, et al.
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