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The Journal of Chemical Physics|January 9, 2017
Determining energy barriers and selectivities of a multi-pathway system with infrequent metadynamicsChristopher D Fu, Luiz F L Oliveira, Jim PfaendtnerThe Journal of Chemical Physics|April 23, 2018
Density functional tight-binding and infrequent metadynamics can capture entropic effects in intramolecular hydrogen transfer reactionsLuiz F L Oliveira, Christopher D Fu, Jim PfaendtnerJournal of Chemical Theory and Computation|February 18, 2017
Assessing Generic Collective Variables for Determining Reaction Rates in Metadynamics SimulationsChristopher D Fu, Luiz F L Oliveira, Jim PfaendtnerJournal of Chemical Theory and Computation|April 3, 2018
Lifting the Curse of Dimensionality on Enhanced Sampling of Reaction Networks with Parallel Bias MetadynamicsChristopher D Fu, Jim PfaendtnerThe 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 PfaendtnerJournal of Chemical Theory and Computation|August 5, 2018
Biasing Smarter, Not Harder, by Partitioning Collective Variables into Families in Parallel Bias MetadynamicsArushi Prakash, Christopher D Fu, Massimiliano Bonomi, et al.Methods in Molecular Biology (Clifton, N.J.)|August 10, 2019
Metadynamics to Enhance Sampling in Biomolecular SimulationsJim PfaendtnerJournal 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 PfaendtnerPageof 13