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Journal of Chemical Theory and Computation|December 5, 2015
Derivation of Distributed Models of Atomic Polarizability for Molecular SimulationsIgnacio Soteras, Carles Curutchet, Axel Bidon-Chanal, et al.Journal of Healthcare Informatics Research|April 29, 2024
Neural Models for Generating Natural Language Summaries from Temporal Personal Health DataJonathan Harris, Mohammed J ZakiThe Journal of General Physiology|August 6, 2021
Computational study of non-conductive selectivity filter conformations and C-type inactivation in a voltage-dependent potassium channelJing Li, Rong Shen, Ahmed Rohaim, 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.Biophysical Journal|March 30, 2012
Molecular dynamics simulations of the Cx26 hemichannel: insights into voltage-dependent loop-gatingTaekyung Kwon, Benoît Roux, Sunhwan Jo, et al.Neuron|August 13, 2013
A conformational intermediate in glutamate receptor activationAlbert Y Lau, Héctor Salazar, Lydia Blachowicz, et al.Journal of Molecular Biology|February 1, 2015
A structural rearrangement of the Na+/K+-ATPase traps ouabain within the external ion permeation pathwayJorge E Sánchez-Rodríguez, Fatemeh Khalili-Araghi, Pablo Miranda, et al.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 Computational Chemistry|July 23, 2019
CHARMM-GUI DEER facilitator for spin-pair distance distribution calculations and preparation of restrained-ensemble molecular dynamics simulationsYifei Qi, Jumin Lee, Xi Cheng, et al.Pageof 59