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Journal of Computational Chemistry|July 18, 2003
Direct hydroxide attack is a plausible mechanism for amidase antibody 43C9Lillian T Chong, Pradipta Bandyopadhyay, Thomas S Scanlan, et al.
Proceedings of the National Academy of Sciences of the United States of America|September 21, 2016
Biophysical comparison of ATP synthesis mechanisms shows a kinetic advantage for the rotary processRamu Anandakrishnan, Zining Zhang, Rory Donovan-Maiye, et al.
Journal of Molecular Graphics & Modelling|April 22, 2004
Tools for channels: moving towards molecular calculations of gating and permeation in ion channel biophysicsThomas B Woolf, Daniel M Zuckerman, Nandou Lu, et al.
Journal of Chemical Theory and Computation|November 30, 2017
Systematic Testing of Belief-Propagation Estimates for Absolute Free Energies in Atomistic Peptides and ProteinsRory M Donovan-Maiye, Christopher J Langmead, Daniel M Zuckerman
Journal of Molecular Biology|November 29, 2008
Effect of interdomain linker length on an antagonistic folding-unfolding equilibrium between two protein domainsThomas A Cutler, Brandon M Mills, David J Lubin, et al.
Biorxiv : the Preprint Server for Biology|February 20, 2025
SHINE: Deterministic Many-to-Many clustering of Molecular PathwaysLexin Chen, Jeremy M G Leung, Krisztina Zsigmond, et al.
Biorxiv : the Preprint Server for Biology|June 4, 2026
Pathway Representation via Intrinsic Structural Medoids (PRISM): A Structural Mapping Approach to Clustering Molecular PathwaysJherome Brylle Woody Santos, Jeremy M G Leung, Lillian T Chong, et al.
Journal of Chemical Information and Modeling|May 6, 2025
SHINE: Deterministic Many-to-Many Clustering of Molecular PathwaysLexin Chen, Jeremy M G Leung, Krisztina Zsigmond, et al.
ACS Omega|July 7, 2025
Lessons Learned from a Ligand-Unbinding Stress Test for Weighted Ensemble SimulationsAnthony T Bogetti, Darian T Yang, Hannah E Piston, et al.
Biophysical Journal|March 1, 2018
Integrating NMR, SAXS, and Atomistic Simulations: Structure and Dynamics of a Two-Domain ProteinKarl T Debiec, Matthew J Whitley, Leonardus M I Koharudin, et al.
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