Serine proteases: An ab initio molecular dynamics study

Proteins: Structure, Function and Genetics

Volumn 37, Issue 4, 1999, Pages 611-618

  De Santis, L ^a,b   Carloni, P ^a,b,c  

^a INFM   (Italy)

^b SISSA   (Italy)

^c INTERNATIONAL CENTRE FOR GENETIC ENGINEERING AND BIOTECHNOLOGY   (Italy)

Author keywords

Car Parrinello simulations; Density functional theory calculations; Enzyme intermediate adduct; H bonding interactions; Low barrier hydrogen bonds

Indexed keywords

ASPARTIC ACID; GLYCEROL; HISTIDINE; HYDROGEN; SERINE PROTEINASE;

ARTICLE; CALCULATION; ELECTRIC FIELD; HYDROGEN BOND; MOLECULAR DYNAMICS; PRIORITY JOURNAL; PROTEIN ANALYSIS; PROTEIN INTERACTION; REACTION ANALYSIS; SIMULATION;

ELECTROSTATICS; ENZYME STABILITY; HYDROGEN BONDING; MAGNETIC RESONANCE SPECTROSCOPY; MODELS, MOLECULAR; PANCREATIC ELASTASE; PROTEIN CONFORMATION; SERINE ENDOPEPTIDASES; SUBSTRATE SPECIFICITY; THERMODYNAMICS;

EID: 0032756254     PISSN: 08873585     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1097-0134(19991201)37:4<611::AID-PROT11>3.0.CO;2-7     Document Type: Article

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