Molecular dynamic simulations analysis of ritronavir and lopinavir as SARS-CoV 3CLpro inhibitors

Journal of Theoretical Biology

Volumn 254, Issue 4, 2008, Pages 861-867

  Nukoolkarn, Veena ^a   Lee, Vannajan Sanghiran ^b   Malaisree, Maturos ^c   Aruksakulwong, Ornjira ^d   Hannongbua, Supot ^c  

^a MAHIDOL UNIVERSITY   (Thailand)

^b CHIANG MAI UNIVERSITY   (Thailand)

^c CHULALONGKORN UNIVERSITY   (Thailand)

^d RANGSIT UNIVERSITY   (Thailand)

Author keywords

Lopinavir; MD simulations; Proteinase; Ritonavir; SARS

Indexed keywords

LOPINAVIR; PROTEINASE; RITONAVIR; SOLVENT;

COMPLEXATION; ENZYME ACTIVITY; HUMAN IMMUNODEFICIENCY VIRUS; INHIBITOR; MODELING; MOLECULAR ANALYSIS; SEVERE ACUTE RESPIRATORY SYNDROME;

ARTICLE; BINDING AFFINITY; COMPLEX FORMATION; DRUG BINDING; DRUG STRUCTURE; ENZYME ACTIVE SITE; ENZYME STRUCTURE; HYDROGEN BOND; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; PRIORITY JOURNAL; SARS CORONAVIRUS; SIMULATION;

CATALYSIS; COMPUTER SIMULATION; CYSTEINE ENDOPEPTIDASES; HIV PROTEASE INHIBITORS; HYDROGEN BONDING; LIGANDS; MODELS, MOLECULAR; MULTIENZYME COMPLEXES; PROTEIN BINDING; PYRIMIDINONES; RITONAVIR; VIRAL PROTEINS;

HUMAN IMMUNODEFICIENCY VIRUS 1; SARS CORONAVIRUS;

EID: 52149096469     PISSN: 00225193     EISSN: 10958541     Source Type: Journal    
DOI: 10.1016/j.jtbi.2008.07.030     Document Type: Article

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