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The Journal of Physical Chemistry Letters|May 17, 2011
High-performance scalable molecular dynamics simulations of a polarizable force field based on classical Drude oscillators in NAMDWei Jiang, David J Hardy, James C Phillips, et al.Journal of Chemical Theory and Computation|February 28, 2012
Optimization of the CHARMM additive force field for DNA: Improved treatment of the BI/BII conformational equilibriumKatarina Hart, Nicolas Foloppe, Christopher M Baker, et al.Journal of Chemical Information and Modeling|April 30, 2019
Optimization and Evaluation of Site-Identification by Ligand Competitive Saturation (SILCS) as a Tool for Target-Based Ligand OptimizationVincent D Ustach, Sirish Kaushik Lakkaraju, Sunhwan Jo, et al.Bioorganic & Medicinal Chemistry|June 9, 2012
Deconstructing 14-phenylpropyloxymetopon: minimal requirements for binding to mu opioid receptorsLidiya Stavitskaya, Jihyun Shim, Jason R Healy, et al.The Journal of Physical Chemistry. B|July 12, 2013
A polarizable force field of dipalmitoylphosphatidylcholine based on the classical Drude model for molecular dynamics simulations of lipidsJanamejaya Chowdhary, Edward Harder, Pedro E M Lopes, et al.Journal of Chemical Theory and Computation|December 8, 2015
Determination of Electrostatic Parameters for a Polarizable Force Field Based on the Classical Drude OscillatorVictor M Anisimov, Guillaume Lamoureux, Igor V Vorobyov, et al.Tetrahedron Letters|February 25, 2014
Boc-protected 1-(3-oxocycloalkyl)ureas via a one-step Curtius rearrangement: mechanism and scopeXianyu Sun, Rachita Rai, Jeffrey R Deschamps, et al.Proteins|September 25, 2004
Molecular recognition of aldehydes by aldehyde dehydrogenase and mechanism of nucleophile activationTroy Wymore, John Hempel, Samuel S Cho, et al.Journal of Chemical Theory and Computation|September 30, 2016
Improving the Force Field Description of Tyrosine-Choline Cation-π Interactions: QM Investigation of Phenol-N(Me)4+ InteractionsHanif M Khan, Cédric Grauffel, Ria Broer, et al.Journal of Chemical Theory and Computation|May 19, 2021
Additive CHARMM36 Force Field for Nonstandard Amino AcidsAnastasia Croitoru, Sang-Jun Park, Anmol Kumar, et al.Pageof 49