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The Journal of Physical Chemistry. B|September 20, 2016
Chain Flexibility in Self-Assembled Monolayers Affects Protein Adsorption and Surface Hydration: A Molecular Dynamics StudyWesley Beckner, Yi He, Jim PfaendtnerJournal of Chemical Information and Modeling|April 12, 2019
Fantastic Liquids and Where To Find Them: Optimizations of Discrete Chemical SpaceWesley Beckner, Jim PfaendtnerThe Journal of Physical Chemistry. B|August 25, 2020
Continuous Molecular Representations of Ionic LiquidsWesley Beckner, Chowdhury Ashraf, James Lee, et al.The Journal of Physical Chemistry. A|March 8, 2019
Diagnosing the Impact of External Electric Fields Chemical Kinetics: Application to Toluene Oxidation and PyrolysisChristopher D Fu, Yi He, Jim PfaendtnerMethods in Molecular Biology (Clifton, N.J.)|August 10, 2019
Metadynamics to Enhance Sampling in Biomolecular SimulationsJim PfaendtnerScientific Reports|May 12, 2017
Enhancing the Oxidation of Toluene with External Electric Fields: a Reactive Molecular Dynamics StudyShen Tan, Tao Xia, Yao Shi, et al.Journal of Chemical Theory and Computation|November 18, 2015
Efficient Sampling of High-Dimensional Free-Energy Landscapes with Parallel Bias MetadynamicsJim Pfaendtner, Massimiliano BonomiThe Journal of Physical Chemistry. B|April 28, 2020
Elucidating the Molecular Interactions between Uremic Toxins and the Sudlow II Binding Site of Human Serum AlbuminJosh Smith, Jim PfaendtnerLangmuir : the ACS Journal of Surfaces and Colloids|August 14, 2024
Hydrophobic Residues Promote Interfacial Activation of Candida rugosa Lipase: A Study of Rotational DynamicsAva Waggett, Jim PfaendtnerLangmuir : the ACS Journal of Surfaces and Colloids|May 28, 2013
Exhaustively sampling peptide adsorption with metadynamicsMichael Deighan, Jim PfaendtnerPageof 296