Reactive center loop insertion in α-1-Antitrypsin captured by accelerated molecular dynamics simulation

Biochemistry

Volumn 56, Issue 4, 2017, Pages 634-646

  Andersen, Ole Juul ^a,b   Risør, Michael Wulff ^a,b   Poulsen, Emil Christian ^a,b   Nielsen, Niels Chr ^a,b   Miao, Yinglong ^c   Enghild, Jan J ^a,b   Schiøtt, Birgit ^a,b  

^a AARHUS UNIVERSITY   (Denmark)

^b AARHUS UNIVERSITY   (Denmark)

^c HOWARD HUGHES MEDICAL INSTITUTE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AMINO ACIDS; ENZYME INHIBITION; FLUORINE; POLYMERIZATION;

ACCELERATED MOLECULAR DYNAMICS; CONFORMATIONAL CHANGE; CONFORMATIONAL SPACE; INHIBITORY ACTIVITY; INTRINSIC STABILITY; REACTIVE CENTER LOOPS; SERINE PROTEASE INHIBITOR; STRUCTURAL REARRANGEMENT;

MOLECULAR DYNAMICS;

ALPHA 1 ANTITRYPSIN; CHAPERONE; WATER; ASPARTIC ACID; RECOMBINANT PROTEIN; TRYPSIN;

ARTICLE; BETA SHEET; CHEMICAL PARAMETERS; COMPLEX FORMATION; HEAT; HUMAN; MOLECULAR DYNAMICS; MOLECULAR STABILITY; NONHUMAN; PLASTICITY; POLYMERIZATION; PRIORITY JOURNAL; PROTEINASE INHIBITION; REACTIVE CENTER LOOP; STATIC ELECTRICITY; AMINO ACID SEQUENCE; ANIMAL; BOVINE; CHEMISTRY; GENE EXPRESSION; GENETICS; KINETICS; MOLECULAR CLONING; MUTATION; PROTEIN DOMAIN; PROTEIN SECONDARY STRUCTURE; STRUCTURE ACTIVITY RELATION; THERMODYNAMICS;

ALPHA 1-ANTITRYPSIN; AMINO ACID SEQUENCE; ANIMALS; ASPARTIC ACID; CATTLE; CLONING, MOLECULAR; GENE EXPRESSION; HUMANS; KINETICS; MOLECULAR DYNAMICS SIMULATION; MUTATION; PROTEIN INTERACTION DOMAINS AND MOTIFS; PROTEIN STRUCTURE, SECONDARY; RECOMBINANT PROTEINS; STATIC ELECTRICITY; STRUCTURE-ACTIVITY RELATIONSHIP; THERMODYNAMICS; TRYPSIN;

EID: 85011309679     PISSN: 00062960     EISSN: 15204995     Source Type: Journal    
DOI: 10.1021/acs.biochem.6b00839     Document Type: Article

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