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The Journal of Physical Chemistry Letters|September 24, 2014
Recent Advances in Polarizable Force Fields for Macromolecules: Microsecond Simulations of Proteins Using the Classical Drude Oscillator ModelJing Huang, Pedro E M Lopes, Benoît Roux, et al.
The Journal of Physical Chemistry. B|March 29, 2007
Polarizable empirical force field for aromatic compounds based on the classical drude oscillatorPedro E M Lopes, Guillaume Lamoureux, Benoît Roux, et al.
Nucleic Acids Research|May 30, 2008
PBEQ-Solver for online visualization of electrostatic potential of biomoleculesSunhwan Jo, Miklos Vargyas, Judit Vasko-Szedlar, et al.
Journal of the American Chemical Society|September 12, 2013
Dangerous liaisons between detergents and membrane proteins. The case of mitochondrial uncoupling protein 2Manuela Zoonens, Jeffrey Comer, Sandrine Masscheleyn, et al.
Journal of Chemical Information and Modeling|September 18, 2012
Molecular basis of drug resistance in A/H1N1 virusAriela Vergara-Jaque, Horacio Poblete, Eric H Lee, et al.
Journal of Molecular Biology|May 6, 2021
Cation-π Interactions and their Functional Roles in Membrane ProteinsDaniel T Infield, Ali Rasouli, Grace D Galles, et al.
Journal of Chemical Information and Modeling|December 5, 2012
CHARMM-GUI Ligand Binder for absolute binding free energy calculations and its applicationSunhwan Jo, Wei Jiang, Hui Sun Lee, et al.
The Journal of General Physiology|August 4, 2018
Rapid constriction of the selectivity filter underlies C-type inactivation in the KcsA potassium channelJing Li, Jared Ostmeyer, Luis G Cuello, et al.
Physical Chemistry Chemical Physics : PCCP|March 30, 2017
Structural and energetic study of cation-π-cation interactions in proteinsSilvana Pinheiro, Ignacio Soteras, Josep Lluis Gelpí, et al.
The Journal of Physical Chemistry. B|August 9, 2013
Simulations of anionic lipid membranes: development of interaction-specific ion parameters and validation using NMR dataRichard M Venable, Yun Luo, Klaus Gawrisch, et al.
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