Effects of different solvents on the conformations of apoptotic cytochrome c: Structural insights from molecular dynamics simulation

The temperature responsiveness of ABA-polymer-conjugated Cyt c and its improved dispersion properties at high temperature have been investigated through both simulations and experiments.

Download Full-text

Structural insights for designed alanine-rich helices: Comparing NMR helicity measures and conformational ensembles from molecular dynamics simulation

Biopolymers ◽

10.1002/bip.21004 ◽

2008 ◽

Vol 89 (9) ◽

pp. 747-760 ◽

Cited By ~ 20

Author(s):

Kun Song ◽

James M. Stewart ◽

R. Matthew Fesinmeyer ◽

Niels H. Andersen ◽

Carlos Simmerling

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Conformational Ensembles ◽

Structural Insights

Download Full-text

Abstract 2310: Molecular dynamics simulation of permeation pathway of cytochrome C through Bax pore

10.1158/1538-7445.am2017-2310 ◽

2017 ◽

Author(s):

Mingzhen Zhang ◽

Jie Zheng ◽

Ruth Nussinov ◽

Buyong Ma

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Cytochrome C ◽

Dynamics Simulation

Download Full-text

Coarse Grained Molecular Dynamics Simulation of the Interaction of Cytochrome C with Lipid Bilayers

Biophysical Journal ◽

10.1016/j.bpj.2012.11.2780 ◽

2013 ◽

Vol 104 (2) ◽

pp. 503a-504a ◽

Cited By ~ 1

Author(s):

Dariush Mohammadyani ◽

Valerian E. Kagan ◽

Judith Klein-Seetharaman

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Cytochrome C ◽

Lipid Bilayers ◽

Dynamics Simulation ◽

Coarse Grained ◽

Coarse Grained Molecular Dynamics

Download Full-text

Structural insights into the interactions of flavin mononucleotide (FMN) and riboflavin with FMN riboswitch: a molecular dynamics simulation study

Journal of Biomolecular Structure and Dynamics ◽

10.1080/07391102.2019.1665587 ◽

2019 ◽

Vol 38 (13) ◽

pp. 3856-3866

Author(s):

Padmaja D. Wakchaure ◽

Kalyanashis Jana ◽

Bishwajit Ganguly

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Dynamics Simulation ◽

Flavin Mononucleotide ◽

Structural Insights

Download Full-text

Molecular dynamics simulation of water in cytochrome c oxidase reveals two water exit pathways and the mechanism of transport

Biochimica et Biophysica Acta (BBA) - Bioenergetics ◽

10.1016/j.bbabio.2009.04.004 ◽

2009 ◽

Vol 1787 (9) ◽

pp. 1140-1150 ◽

Cited By ~ 30

Author(s):

Ryogo Sugitani ◽

Alexei A. Stuchebrukhov

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Cytochrome C ◽

Cytochrome C Oxidase ◽

Dynamics Simulation ◽

Water Exit

Download Full-text

Inclusion of citral isomers in native and methylated cyclodextrins: Structural insights by X-ray crystallography and molecular dynamics simulation analysis

Journal of Molecular Structure ◽

10.1016/j.molstruc.2021.130169 ◽

2021 ◽

Vol 1234 ◽

pp. 130169

Author(s):

Katerina Fourtaka ◽

Elias Christoforides ◽

Pavlos Tzamalis ◽

Kostas Bethanis

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Analysis ◽

Dynamics Simulation ◽

X Ray ◽

X Ray Crystallography ◽

Methylated Cyclodextrins ◽

Structural Insights

Download Full-text

Molecular dynamics simulation approach to explore atomistic molecular mechanism of peroxidase activity of apoptotic cytochrome c mutants

Informatics in Medicine Unlocked ◽

10.1016/j.imu.2018.04.003 ◽

2018 ◽

Vol 11 ◽

pp. 51-60 ◽

Cited By ~ 2

Author(s):

Gurusamy Muneeswaran ◽

Manickam Pandiaraj ◽

Subramanian Kartheeswaran ◽

Muniyandi Sankaralingam ◽

Kaliappan Muthukumar ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Cytochrome C ◽

Molecular Mechanism ◽

Peroxidase Activity ◽

Dynamics Simulation ◽

Simulation Approach

Download Full-text