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Journal of Physics. Condensed Matter : an Institute of Physics Journal|March 8, 2012
Salt effects on water/hydrophobic liquid interfaces: a molecular dynamics studyChao Zhang, Paolo CarloniJournal of Chemical Theory and Computation|December 1, 2015
Molecular Dynamics in Physiological Solutions: Force Fields, Alkali Metal Ions, and Ionic StrengthChao Zhang, Simone Raugei, Bob Eisenberg, et al.Journal of Chemical Theory and Computation|November 20, 2015
Role of the Membrane Dipole Potential for Proton Transport in Gramicidin A Embedded in a DMPC BilayerJens Dreyer, Chao Zhang, Emiliano Ippoliti, et al.Plos One|February 24, 2018
Interfacial water molecules at biological membranes: Structural features and role for lateral proton diffusionTrung Hai Nguyen, Chao Zhang, Ewald Weichselbaum, et al.Journal of Receptor and Signal Transduction Research|December 31, 2002
Tetraethylammonium binding to the outer mouth of the KcsA potassium channel: implications for ion permeationLeonardo Guidoni, Paolo CarloniProgress in Molecular Biology and Translational Science|August 26, 2017
Structural Modeling of Human Prion Protein's Point MutationsGiulia Rossetti, Paolo CarloniProteins|December 10, 2002
Calcium binding to the transmembrane domain of the sarcoplasmic reticulum Ca2+-ATPase: insights from molecular modelingValeria Costa, Paolo CarloniBiochimica Et Biophysica Acta|May 15, 2002
Potassium permeation through the KcsA channel: a density functional studyLeonardo Guidoni, Paolo CarloniThe Journal of Physical Chemistry. B|January 14, 2021
Ligand Affinities within the Open-Boundary Molecular Mechanics/Coarse-Grained Framework (I): Alchemical Transformations within the Hamiltonian Adaptive Resolution SchemeKsenia Korshunova, Paolo CarloniThe Journal of Physical Chemistry. B|February 14, 2006
Binding of phosphinate and phosphonate inhibitors to aspartic proteases: a first-principles studyPietro Vidossich, Paolo CarloniPageof 842