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The Journal of Physical Chemistry. B|July 9, 2016
Toward Quantitatively Accurate Calculation of the Redox-Associated Acid-Base and Ligand Binding Equilibria of AquacobalaminRyne C Johnston, Jing Zhou, Jeremy C Smith, et al.The Journal of Physical Chemistry. A|April 11, 2018
Quantum Chemical Calculation of p Kas of Environmentally Relevant Functional Groups: Carboxylic Acids, Amines, and Thiols in Aqueous SolutionPeng Lian, Ryne C Johnston, Jerry M Parks, et al.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.The Journal of Chemical Physics|September 8, 2011
Transfer matrix approach to the hydrogen-bonding in cellulose Iα fibrils describes the recalcitrance to thermal deconstructionHeinrich C R Klein, Xiaolin Cheng, 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.Pageof 35