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The Journal of Physical Chemistry. B|October 16, 2014
Proton release from the histidine-tetrad in the M2 channel of the influenza A virusHao Dong, Giacomo Fiorin, William F DeGrado, et al.
The Journal of Physical Chemistry. B|May 16, 2020
Property Decoupling across the Embryonic Nucleus-Melt Interface during Polymer Crystal NucleationKyle Wm Hall, Simona Percec, Wataru Shinoda, et al.
Biophysical Journal|August 1, 2006
Partitioning of anesthetics into a lipid bilayer and their interaction with membrane-bound peptide bundlesSatyavani Vemparala, Leonor Saiz, Roderic G Eckenhoff, et al.
Journal of Molecular Biology|July 18, 2006
Exploring the gating mechanism in the ClC chloride channel via metadynamicsFrancesco Luigi Gervasio, Michele Parrinello, Matteo Ceccarelli, et al.
The Journal of Physical Chemistry. A|January 29, 2009
Bulk and interfacial aqueous fluoride: an investigation via first principles molecular dynamicsMing-Hsun Ho, Michael L Klein, I-F William Kuo
ACS Applied Materials & Interfaces|February 14, 2017
Structure Evolution and Thermoelectric Properties of Carbonized Polydopamine Thin FilmsHaoqi Li, Yaroslav V Aulin, Laszlo Frazer, et al.
Life (Basel, Switzerland)|December 23, 2022
Understanding the Dynamics of the Structural States of Cannabinoid Receptors and the Role of Different ModulatorsAnjela Manandhar, Mona H Haron, Michael L Klein, et al.
Soft Matter|September 9, 2020
Nanoscale organization in room temperature ionic liquids: a coarse grained molecular dynamics simulation studyB Lokegowda Bhargava, Russell Devane, Michael L Klein, et al.
Nano Letters|October 16, 2008
Probing peptide nanotube self-assembly at a liquid-liquid interface with coarse-grained molecular dynamicsEkta Khurana, Russell H DeVane, Axel Kohlmeyer, et al.
The Journal of Physical Chemistry Letters|September 27, 2013
Exploring Histidine Conformations in the M2 Channel Lumen of the Influenza A Virus at Neutral pH via Molecular SimulationsHao Dong, Giacomo Fiorin, William F Degrado, et al.
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