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The Journal of Physical Chemistry. B|July 21, 2022
RNA Electrostatics: How Ribozymes Engineer Active Sites to Enable CatalysisŞölen Ekesan, Erika McCarthy, David A Case, et al.Journal of Molecular Graphics & Modelling|February 7, 2006
Automatic atom type and bond type perception in molecular mechanical calculationsJunmei Wang, Wei Wang, Peter A Kollman, et al.ACS Omega|July 15, 2024
Simulating the Motion Underlying the Mechanism of Thioredoxin ReductaseErik R P Zuiderweg, David A Case, Charles H WilliamsThe Journal of Chemical Physics|April 16, 2026
Development of an optimized parameter set for monovalent ions in the reference interaction site model of solvationFelipe Silva Carvalho, Alexander McMahon, David A Case, et al.Journal of Chemical Theory and Computation|April 11, 2017
Computational Design of the Tiam1 PDZ Domain and Its Ligand BindingDavid Mignon, Nicolas Panel, Xingyu Chen, et al.Proceedings of the National Academy of Sciences of the United States of America|May 16, 2013
Role of aspartate 132 at the orifice of a proton pathway in cytochrome c oxidaseAnn-Louise Johansson, Martin Högbom, Jens Carlsson, et al.ACS Chemical Biology|December 30, 2016
Ligand Discovery for a Peptide-Binding GPCR by Structure-Based Screening of Fragment- and Lead-Like Chemical LibrariesAnirudh Ranganathan, Philipp Heine, Axel Rudling, et al.BMC Biology|February 4, 2026
Computational design of constitutively active mutants of Dopamine D2 receptor inspired by ligand-independent activation mechanismsYue Chen, Marcus Saarinen, Akshay Naraine, et al.Journal of Fish Diseases|June 7, 2019
Genetic diversity of piscine myocarditis virus in Atlantic salmon Salmo salar L. in IrelandAndrew J Tighe, Jens Carlsson, Teresa Morrissey, et al.Journal of Molecular Biology|March 10, 2010
Nonantibiotic properties of tetracyclines: structural basis for inhibition of secretory phospholipase A2Daniela Dalm, Gottfried J Palm, Alexey Aleksandrov, et al.Pageof 39