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The Journal of Physical Chemistry. B|January 30, 2019
Ensemble Docking in Drug Discovery: How Many Protein Configurations from Molecular Dynamics Simulations are Needed To Reproduce Known Ligand Binding?Wilfredo Evangelista Falcon, Sally R Ellingson, Jeremy C Smith, et al.Biophysical Journal|November 20, 2025
Simulation and generalized Langevin equation study of lipid subdiffusion in biomembrane phasesSheeba Malik, Gerald R Kneller, Micholas Dean Smith, et al.Journal of Computational Chemistry|July 13, 2002
Can the calculation of ligand binding free energies be improved with continuum solvent electrostatics and an ideal-gas entropy correction?Sonja M Schwarzl, Thomas B Tschopp, Jeremy C Smith, et al.Structure (London, England : 1993)|June 9, 2005
The alpha helix dipole: screened out?Durba Sengupta, Raghu Nath Behera, Jeremy C Smith, et al.Plos Computational Biology|January 26, 2010
Hydrogen-bond driven loop-closure kinetics in unfolded polypeptide chainsIsabella Daidone, Hannes Neuweiler, Sören Doose, et al.Drug Discovery Today|January 21, 2024
Drugging the entire human proteome: Are we there yet?Micholas Dean Smith, L Darryl Quarles, Omar Demerdash, et al.Structure (London, England : 1993)|April 20, 2005
Mechanism of a molecular valve in the halorhodopsin chloride pumpAndreea D Gruia, Ana-Nicoleta Bondar, Jeremy C Smith, et al.Journal of the American Chemical Society|August 21, 2010
Magnesium-dependent active-site conformational selection in the Diels-Alderase ribozymeTomasz Bereźniak, Maï Zahran, Petra Imhof, et al.Life Sciences|November 6, 2023
Targeted inhibition of MASTL kinase activity induces apoptosis in breast cancerGauri Misra, Jyotika Rajawat, Rajesh Pal, et al.Proceedings of the National Academy of Sciences of the United States of America|December 7, 2006
Order N algorithm for computation of electrostatic interactions in biomolecular systemsBenzhuo Lu, Xiaolin Cheng, Jingfang Huang, et al.Pageof 48