Molecular dynamics and docking simulation of a natural variant of Activated Protein C with impaired protease activity: Implications for integrin-mediated antiseptic function

Journal of Biomolecular Structure and Dynamics

Volumn 33, Issue 1, 2015, Pages 85-92

  Dursi, Pasqualina ^a   Orro, Alessandro ^a   Morra, Giulia ^b   Moscatelli, Marco ^a,c   Trombetti, Gabriele ^a   Milanesi, Luciano ^a   Rovida, Ermanna ^d  

^a CNR   (Italy)

^b CNR   (Italy)

^c UNIVERSITY OF MILANO BICOCCA   (Italy)

^d Milan Unit   (Italy)

Author keywords

Activated Protein C (APC); integrin; molecular docking; molecular dynamics; sepsis

Indexed keywords

ACTIVATED PROTEIN C; ASPARTIC ACID; GLYCINE; VITRONECTIN RECEPTOR; PEPTIDE HYDROLASE; PLASMINOGEN ACTIVATOR INHIBITOR 3; PROTEIN BINDING; PROTEIN C; TOPICAL ANTIINFECTIVE AGENT;

ANTIMICROBIAL ACTIVITY; ARTICLE; CONFORMATIONAL TRANSITION; ENZYME ACTIVITY; MOLECULAR DOCKING; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; MOLECULAR MODEL; MUTATIONAL ANALYSIS; PROTEIN CONFORMATION; PROTEIN FOLDING; PROTEIN MOTIF; STRUCTURE ANALYSIS; BINDING SITE; CHEMISTRY; GENETICS; HUMAN; METABOLISM; MISSENSE MUTATION; PROTEIN TERTIARY STRUCTURE;

ANTI-INFECTIVE AGENTS, LOCAL; BINDING SITES; HUMANS; INTEGRIN ALPHAVBETA3; MOLECULAR DOCKING SIMULATION; MOLECULAR DYNAMICS SIMULATION; MUTATION, MISSENSE; PEPTIDE HYDROLASES; PROTEIN BINDING; PROTEIN C; PROTEIN C INHIBITOR; PROTEIN CONFORMATION; PROTEIN STRUCTURE, TERTIARY;

EID: 84908593988     PISSN: 07391102     EISSN: 15380254     Source Type: Journal    
DOI: 10.1080/07391102.2013.851033     Document Type: Article

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