Determination of Alkali and Halide Monovalent Ion Parameters for Use in Explicitly Solvated Biomolecular Simulations

Por Joung, In Suk, Cheatham,, Thomas E.
Publicado em 2008

Molecular Dynamics Simulations of the Dynamic and Energetic Properties of Alkali and Halide Ions Using Water-Model-Specific Ion Parameters

Por Joung, In Suk, Cheatham, Thomas E.
Publicado em 2009

Mg(2+) Binding Promotes SLV as a Scaffold in Varkud Satellite Ribozyme SLI-SLV Kissing Loop Junction

Por Bergonzo, Christina, Cheatham, Thomas E.
Publicado no Biophys J (2017)

Twenty-five years of nucleic acid simulations

Por Cheatham, Thomas E., Case, David A.
Publicado em 2013

Explaining the varied glycosidic conformational, G-tract length and sequence preferences for anti-parallel G-quadruplexes

Por Cang, Xiaohui, Šponer, Jiří, Cheatham, Thomas E.
Publicado em 2011

Conformational dynamics of CYP3A4 demonstrate the important role of Arg212 coupled with the opening of ingress, egress and solvent channels to dehydrogenation of 4-hydroxy-tamoxife...

Por Shahrokh, Kiumars, Cheatham, Thomas E., Yost, Garold S.
Publicado em 2012

Molecular dynamics simulations of G-DNA and perspectives on the simulation of nucleic acid structures

Por šponer, Jiří, Cang, Xiaohui, Cheatham, Thomas E.
Publicado em 2012

Molecular dynamics guided study of salt bridge length dependence in both fluorinated and non-fluorinated parallel dimeric coiled-coils

Por Pendley, Scott S., Yu, Yihua B., Cheatham, Thomas E.
Publicado em 2009

Evaluation of Enhanced Sampling Provided by Accelerated Molecular Dynamics with Hamiltonian Replica Exchange Methods

Por Roe, Daniel R., Bergonzo, Christina, Cheatham, Thomas E.
Publicado em 2014

Molecular modeling of nucleic acid structure

Por Galindo-Murillo, Rodrigo, Bergonzo, Christina, Cheatham, Thomas E.
Publicado em 2001

Molecular Modeling of Nucleic Acid Structure: Energy and Sampling

Por Bergonzo, Christina, Galindo-Murillo, Rodrigo, Cheatham, Thomas E.
Publicado em 2001

The ABCs of molecular dynamics simulations on B-DNA, circa 2012

Por Beveridge, David L, Cheatham, Thomas E, Mezei, Mihaly
Publicado em 2012

Molecular Modeling of Nucleic Acid Structure: Setup and Analysis

Por Galindo-Murillo, Rodrigo, Bergonzo, Christina, Cheatham, Thomas E.
Publicado em 2001

Molecular Modeling of Nucleic Acid Structure: Electrostatics and Solvation

Por Bergonzo, Christina, Galindo-Murillo, Rodrigo, Cheatham, Thomas E.
Publicado em 2001

Stem-Loop V of Varkud Satellite RNA Exhibits Characteristics of the Mg(2+) Bound Structure in the Presence of Monovalent Ions

Por Bergonzo, Christina, Hall, Kathleen B., Cheatham, Thomas E.
Publicado no J Phys Chem B (2015)

Divalent Ion Dependent Conformational Changes in an RNA Stem-Loop Observed by Molecular Dynamics

Por Bergonzo, Christina, Hall, Kathleen B., Cheatham, Thomas E.
Publicado no J Chem Theory Comput (2016)

DNA Basepair Step Deformability Inferred from Molecular Dynamics Simulations

Por Lankaš, Filip, Šponer, Jiří, Langowski, Jörg, Cheatham, Thomas E.
Publicado em 2003

A COARSE-GRAINED MODEL OF DNA WITH EXPLICIT SOLVATION BY WATER AND IONS

Por DeMille, Robert C., Cheatham, Thomas E., Molinero, Valeria
Publicado em 2010

Reliable oligonucleotide conformational ensemble generation in explicit solvent for force field assessment using reservoir replica exchange molecular dynamics simulations

Por Henriksen, Niel M., Roe, Daniel R., Cheatham, Thomas E.
Publicado em 2013

iBIOMES Lite: Summarizing Biomolecular Simulation Data in Limited Settings

Por Thibault, Julien C., Cheatham, Thomas E., Facelli, Julio C.
Publicado em 2014