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The Journal of Chemical Physics|November 4, 2017
Mapping the Drude polarizable force field onto a multipole and induced dipole modelJing Huang, Andrew C Simmonett, Frank C Pickard, et al.Journal of Medicinal Chemistry|July 17, 2007
Inhibition of the bacterial heme oxygenases from Pseudomonas aeruginosa and Neisseria meningitidis: novel antimicrobial targetsLena M Furci, Pedro Lopes, Suntara Eakanunkul, et al.Journal of Chemical Theory and Computation|April 20, 2010
Accurate Calculation of Hydration Free Energies using Pair-Specific Lennard-Jones Parameters in the CHARMM Drude Polarizable Force FieldChristopher M Baker, Pedro E M Lopes, Xiao Zhu, et al.The Journal of Physical Chemistry. B|January 21, 2020
Predicting Partition Coefficients of Neutral and Charged Solutes in the Mixed SLES-Fatty Acid Micellar SystemMattia Turchi, Abhishek A Kognole, Anmol Kumar, et al.The Journal of Physical Chemistry. B|June 15, 2016
Structure of Penta-Alanine Investigated by Two-Dimensional Infrared Spectroscopy and Molecular Dynamics SimulationYuan Feng, Jing Huang, Seongheun Kim, et al.Clinical Cancer Research : an Official Journal of the American Association for Cancer Research|November 25, 2016
The Expanding Role of the BCL6 Oncoprotein as a Cancer Therapeutic TargetMariano G Cardenas, Erin Oswald, Wenbo Yu, et al.The Journal of Physical Chemistry. B|July 26, 2006
An ab initio study on the torsional surface of alkanes and its effect on molecular simulations of alkanes and a DPPC bilayerJeffery B Klauda, Bernard R Brooks, Alexander D MacKerell, et al.Pathogens and Disease|June 29, 2023
Identification of a novel transport system in Borrelia burgdorferi that links the inner and outer membranesHannah G Bowen, Melisha R Kenedy, David K Johnson, et al.Scientific Reports|January 28, 2018
Characterization of Conformational Ensembles of Protonated N-glycans in the Gas-PhaseSuyong Re, Shigehisa Watabe, Wataru Nishima, et al.Physical Chemistry Chemical Physics : PCCP|March 21, 2020
Impact of electronic polarizability on protein-functional group interactionsHimanshu Goel, Wenbo Yu, Vincent D Ustach, et al.Pageof 49