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Langmuir : the ACS Journal of Surfaces and Colloids|June 4, 2026
Design Rules for Selective Peptide Amphiphile-Gold Nanoparticle Interactions from Atomistic SimulationsChristopher Kang, Abigail Gringeri, Abigail S Knight, 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|July 7, 2026
A Force-Kernel Reformulation of the Extended-System Adaptive Biasing Force for Free-Energy CalculationsChristopher Kang, Rahul Verma, Aditya Sonpal, 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 PfaendtnerThe Journal of Physical Chemistry. B|June 28, 2023
Origins of Conformational Heterogeneity in Peptoid Helices Formed by Chiral N-1-Phenylethyl SidechainsSarah Alamdari, Jim PfaendtnerThe Journal of Physical Chemistry. B|July 6, 2026
Phosphoserine Charge State Drives Ion Condensation and Spatial Polyamine Presentation in Multirepeat SilaffinAditya Sonpal, Jim PfaendtnerJournal of Chemical Information and Modeling|April 12, 2019
Fantastic Liquids and Where To Find Them: Optimizations of Discrete Chemical SpaceWesley Beckner, Jim PfaendtnerPageof 19