On the sensitivity of MD trajectories to changes in water-protein interaction parameters: The potato carboxypeptidase inhibitor in water as a test case for the GROMOS force field

Proteins: Structure, Function and Genetics

Volumn 25, Issue 1, 1996, Pages 89-103

  Daura, Xavier ^a   Oliva, Baldomero ^a   Querol, Enrique ^a   Avilés, Francesc X ^a   Tapia, Orlando ^b  

^a UNIVERSITAT AUTÒNOMA DE BARCELONA   (Spain)

^b UPPSALA UNIVERSITY   (Sweden)

Author keywords

computer simulation; force field analysis; molecular dynamics of proteins; van der Waals interactions; water solvation properties

Indexed keywords

CARBOXYPEPTIDASE;

ARTICLE; COMPUTER SIMULATION; CRYSTALLOGRAPHY; ELECTRICITY; HYDROGEN BOND; MOLECULAR DYNAMICS; MOLECULAR MODEL; NUCLEAR MAGNETIC RESONANCE; PRIORITY JOURNAL; PROTEIN CONFORMATION; PROTEIN PROTEIN INTERACTION; X RAY ANALYSIS;

ALGORITHMS; CARBOXYPEPTIDASES; CARBOXYPEPTIDASES A; COMPUTER SIMULATION; CRYSTALLOGRAPHY, X-RAY; HYDROGEN BONDING; MAGNETIC RESONANCE SPECTROSCOPY; MODELS, MOLECULAR; PLANT PROTEINS; PROTEASE INHIBITORS; SOLANUM TUBEROSUM; WATER;

EID: 0029993330     PISSN: 08873585     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1097-0134(199605)25:1<89::AID-PROT7>3.0.CO;2-F     Document Type: Article

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