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Biophysical Journal|October 22, 2009
Defining coarse-grained representations of large biomolecules and biomolecular complexes from elastic network modelsZhiyong Zhang, Jim Pfaendtner, Andrea Grafmüller, et al.The 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|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.Langmuir : the ACS Journal of Surfaces and Colloids|October 6, 2017
Investigating the Role of Phosphorylation in the Binding of Silaffin Peptide R5 to Silica with Molecular Dynamics SimulationsK G Sprenger, Arushi Prakash, Gary Drobny, et al.Journal 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 PfaendtnerProceedings of the National Academy of Sciences of the United States of America|April 7, 2010
Actin filament remodeling by actin depolymerization factor/cofilinJim Pfaendtner, Enrique M De La Cruz, Gregory A VothChemical Science|July 5, 2021
Attention-based generative models for de novo molecular designOrion Dollar, Nisarg Joshi, David A C Beck, et al.Biomacromolecules|February 15, 2018
Peptoid Backbone Flexibilility Dictates Its Interaction with Water and Surfaces: A Molecular Dynamics InvestigationArushi Prakash, Marcel D Baer, Christopher J Mundy, et al.Journal of Molecular Biology|November 26, 2009
Structure and dynamics of the actin filamentJim Pfaendtner, Edward Lyman, Thomas D Pollard, et al.The Journal of Physical Chemistry. B|April 8, 2016
Lytic Polysaccharide Monooxygenases ScLPMO10B and ScLPMO10C Are Stable in Ionic Liquids As Determined by Molecular SimulationsK G Sprenger, Alaksh Choudhury, Joel L Kaar, et al.Pageof 23