Functionality map analysis of the active site cleft of human thrombin

Journal of Computer-Aided Molecular Design

Volumn 10, Issue 1, 1996, Pages 1-10

  Grootenhuis, Peter D J ^a   Karplus, Martin ^b  

^a NV ORGANON   (Netherlands)

^b HARVARD UNIVERSITY   (United States)

Author keywords

MCSS method; Molecular modelling; Rational drug design; Thrombin inhibitors

Indexed keywords

BINDING ENERGY; ENZYMES;

ACTIVE SITE; BINDING MODES; INHIBITOR-COMPLEX; MAP ANALYSIS; MCSS METHOD; POSITION AND ORIENTATIONS; RATIONAL DRUG DESIGNS; THREE-DIMENSIONAL SURFACE; THROMBIN INHIBITORS;

BINDING SITES;

ARGATROBAN; DIPEPTIDE; N(ALPHA) (2 NAPHTHYLSULFONYLGLYCYL) 4 AMIDINOPHENYLALANINE PIPERIDIDE; N(ALPHA)-(2-NAPHTHYLSULFONYLGLYCYL)-4-AMIDINOPHENYLALANINE PIPERIDIDE; PEPTIDE CHLOROMETHYL KETONE; PHENYLALANYL PROLYL ARGININE CHLOROMETHYL KETONE; PHENYLALANYL-PROLYL-ARGININE-CHLOROMETHYL KETONE; PIPECOLIC ACID DERIVATIVE; PIPERIDINE DERIVATIVE; SERINE PROTEINASE INHIBITOR; THROMBIN;

AMINO ACID SEQUENCE; ARTICLE; BINDING SITE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER PROGRAM; DRUG ANTAGONISM; HUMAN; METABOLISM; MOLECULAR GENETICS; MOLECULAR PROBE; PROTEIN CONFORMATION;

AMINO ACID CHLOROMETHYL KETONES; AMINO ACID SEQUENCE; BINDING SITES; DIPEPTIDES; HUMANS; MODELS, MOLECULAR; MOLECULAR PROBES; MOLECULAR SEQUENCE DATA; MOLECULAR STRUCTURE; PIPECOLIC ACIDS; PIPERIDINES; PROTEIN CONFORMATION; SERINE PROTEINASE INHIBITORS; SOFTWARE; THROMBIN;

EID: 0030076313     PISSN: 0920654X     EISSN: None     Source Type: Journal    
DOI: 10.1007/BF00124460     Document Type: Article

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