Molecular determinants of binding to the Plasmodium subtilisin-like protease 1

Journal of Chemical Information and Modeling

Volumn 53, Issue 3, 2013, Pages 573-583

  Fulle, Simone ^a   Withers Martinez, Chrislaine ^b   Blackman, Michael J ^b   Morris, Garrett M ^a   Finn, Paul W ^a  

^a INHIBOX LTD   (United Kingdom)

^b NATIONAL INSTITUTE FOR MEDICAL RESEARCH   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

BIOINFORMATICS; FREE ENERGY; LIFE CYCLE; MOLECULAR DYNAMICS; PEPTIDES; SUBSTRATES; VAN DER WAALS FORCES;

FAVORABLE INTERACTIONS; FREE-ENERGY CALCULATIONS; HUMAN MALARIA PARASITE; MOLECULAR DETERMINANTS; MOLECULAR DYNAMICS SIMULATIONS; PLASMODIUM FALCIPARUM; SMALL MOLECULE INHIBITOR; VAN DER WAALS INTERACTIONS;

BINDING ENERGY;

PEPTIDE; PROTOZOAL PROTEIN; SUBTILISIN; SUBTILISIN LIKE PROTEASE 1, PLASMODIUM FALCIPARUM; SUBTILISIN-LIKE PROTEASE 1, PLASMODIUM FALCIPARUM;

ARTICLE; BINDING SITE; CHEMICAL STRUCTURE; CHEMISTRY; DRUG EFFECT; ELECTROCHEMISTRY; HYDROGEN BOND; PLASMODIUM FALCIPARUM; PROTEIN BINDING; PROTEIN CONFORMATION; STRUCTURE ACTIVITY RELATION;

BINDING SITES; ELECTROCHEMISTRY; HYDROGEN BONDING; MODELS, MOLECULAR; PEPTIDES; PLASMODIUM FALCIPARUM; PROTEIN BINDING; PROTEIN CONFORMATION; PROTOZOAN PROTEINS; STRUCTURE-ACTIVITY RELATIONSHIP; SUBTILISINS;

EID: 84875479934     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci300581z     Document Type: Article

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