scholarly journals Molecular dynamics simulations of an engineered T4 lysozyme exclude helix to sheet transition, and provide insights into long distance, intra‐protein switchable motion

2019 ◽  
Vol 29 (2) ◽  
pp. 542-554
Author(s):  
Laurence Biggers ◽  
Hadeer Elhabashy ◽  
Edward Ackad ◽  
Mohammad S. Yousef
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
T4 Lysozyme ◽  
Long Distance ◽  
Dynamics Simulations

scholarly journals Atomistic picture of conformational exchange in a T4 lysozyme cavity mutant: an experiment-guided molecular dynamics study

2016 ◽  
Vol 7 (6) ◽  
pp. 3602-3613 ◽  
Author(s):  
Pramodh Vallurupalli ◽  
Nilmadhab Chakrabarti ◽  
Régis Pomès ◽  
Lewis E. Kay
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Relaxation Dispersion ◽  
Conformational Exchange ◽  
T4 Lysozyme ◽  
Nmr Techniques ◽  
Relaxation Dispersion Nmr ◽  
Dynamics Simulations

Relaxation-dispersion NMR techniques and molecular dynamics simulations have been used to understand how a cavity mutant of T4 lysozyme interconverts between two compact conformations.

Structure of phosphorus-selenium glasses: results from ab initio molecular dynamics simulations

2000 ◽  
Vol 98 (11) ◽  
pp. 701-707
Author(s):  
Alessandro Sergi, Mauro Ferrario, Francesco Bu
Keyword(s):  
Molecular Dynamics ◽  
Ab Initio ◽  
Molecular Dynamics Simulations ◽  
Ab Initio Molecular Dynamics ◽  
Dynamics Simulations

ERRATUM Molecular dynamics simulations of liquid crystal phases using atomistic potentials

1998 ◽  
Vol 95 (1) ◽  
pp. 121-121
Author(s):  
CARL MCBRIDE MARK R. WILSON JUDITH A. K.
Keyword(s):  
Molecular Dynamics ◽  
Liquid Crystal ◽  
Molecular Dynamics Simulations ◽  
Crystal Phases ◽  
Dynamics Simulations ◽  
Liquid Crystal Phases

MOLECULAR DYNAMICS SIMULATIONS OF RAYLEIGH AND FIRST WIND-INDUCED BREAKUP

2011 ◽  
Vol 21 (4) ◽  
pp. 275-281 ◽  
Author(s):  
Kurt F. Ludwig ◽  
Michael Micci
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Dynamics Simulations
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