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The Journal of Chemical Physics|December 23, 2024
A modular and extensible CHARMM-compatible model for all-atom simulation of polypeptoidsAlex Berlaga, Kaylyn Torkelson, Aniruddha Seal, et al.The Journal of Physical Chemistry. B|June 28, 2023
Thermodynamic Basis for the Stabilization of Helical Peptoids by Chiral SidechainsSarah Alamdari, Kaylyn Torkelson, Xiaoqian Wang, 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 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 23