Osmotic Pressure Simulations of Amino Acids and Peptides Highlight Potential Routes to Protein Force Field Parameterization

Journal of Physical Chemistry B

Volumn 120, Issue 33, 2016, Pages 8217-8229

  Miller, Mark S ^a   Lay, Wesley K ^a   Elcock, Adrian H ^a  

^a UNIVERSITY OF IOWA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AMINO ACIDS; BIOINFORMATICS; MOLECULAR DYNAMICS; PEPTIDES; PROTEINS; SOLUTIONS;

AMINO ACID INTERACTIONS; CHARGED AMINO ACIDS; FORCE FIELD PARAMETERIZATION; MOLECULAR DYNAMICS SIMULATIONS; OSMOTIC COEFFICIENT; PARTIAL CHARGES; PRESSURE SIMULATIONS; REPARAMETERIZATION;

OSMOSIS;

AMINO ACID; PEPTIDE; WATER;

CHEMISTRY; MOLECULAR DYNAMICS; OSMOTIC PRESSURE; STATIC ELECTRICITY; THERMODYNAMICS;

AMINO ACIDS; MOLECULAR DYNAMICS SIMULATION; OSMOTIC PRESSURE; PEPTIDES; STATIC ELECTRICITY; THERMODYNAMICS; WATER;

EID: 84984910922     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/acs.jpcb.6b01902     Document Type: Article

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