Molecular dynamics simulations of certain mutant peptide models from staphylococcal nuclease reveal that initial hydrophobic collapse associated with turn propensity drives β -hairpin folding

2013 ◽  
Vol 19 (8) ◽  
pp. 516-527
Author(s):  
Rashmi Tambe Shukla ◽  
Naveen Kumar ◽  
Yellamraju U. Sasidhar
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Staphylococcal Nuclease ◽  
Hydrophobic Collapse ◽  
Mutant Peptide ◽  
Peptide Models ◽  
Dynamics Simulations

Molecular Dynamics Simulations of Simple Peptide Models: Solvent Effects and Comparison with Experiment

1994 ◽  
Vol 98 (40) ◽  
pp. 10294-10302 ◽  
Author(s):  
Gilad Haran ◽  
Elisha Haas ◽  
Dennis C. Rapaport
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Solvent Effects ◽  
Comparison With Experiment ◽  
Peptide Models ◽  
Dynamics Simulations

scholarly journals Molecular dynamics simulations of hydrophobic collapse of ubiquitin

1998 ◽  
Vol 7 (4) ◽  
pp. 860-874 ◽  
Author(s):  
Darwin.V. Alonso ◽  
Valerie Daggett
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Hydrophobic Collapse ◽  
Dynamics Simulations

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
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