Conformational sampling of CDR-H3 in antibodies by multicanonical molecular dynamics simulation

Journal of Molecular Biology

Volumn 278, Issue 2, 1998, Pages 481-496

  Shirai, Hiroki ^a,b   Nakajima, Nobuyuki ^a   Higo, Junichi ^a   Kidera, Akinori ^a,c   Nakamura, Haruki ^a  

^a BIOMOL ENG RESEARCH INSTITUTE   (Japan)

^b MITSUBISHI TANABE PHARMA CORPORATION   (Japan)

^c KYOTO UNIVERSITY   (Japan)

Author keywords

Antibody; CDR; Loop modeling; Multicanonical molecular dynamics; Structural ensemble

Indexed keywords

ANTIBODY; IMMUNOGLOBULIN HEAVY CHAIN;

AMINO ACID SEQUENCE; ANTIBODY STRUCTURE; ARTICLE; COMPLEMENTARITY DETERMINING REGION; CONTROLLED STUDY; CRYSTAL STRUCTURE; MOLECULAR DYNAMICS; PRIORITY JOURNAL; PROTEIN CONFORMATION; PROTEIN STABILITY; X RAY CRYSTALLOGRAPHY;

EID: 0032079636     PISSN: 00222836     EISSN: None     Source Type: Journal    
DOI: 10.1006/jmbi.1998.1698     Document Type: Article

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