High-resolution modeling of antibody structures by a combination of bioinformatics, expert knowledge, and molecular simulations

Proteins: Structure, Function and Bioinformatics

Volumn 82, Issue 8, 2014, Pages 1624-1635

  Shirai, Hiroki ^a   Ikeda, Kazuyoshi ^b,d   Yamashita, Kazuo ^c   Tsuchiya, Yuko ^c   Sarmiento, Jamica ^c   Liang, Shide ^c   Morokata, Tatsuaki ^a   Mizuguchi, Kenji ^b   Higo, Junichi ^c   Standley, Daron M ^c   Nakamura, Haruki ^c  

^a ASTELLAS PHARMA INC   (Japan)

^b NATIONAL INSTITUTE OF BIOMEDICAL INNOVATION   (Japan)

^c OSAKA UNIVERSITY   (Japan)

^d Level Five Co Ltd   (Japan)

Author keywords

Complementary determining region; Fragment assembly; H3 rules; Homology modeling; Immunoglobulin; Multicanonical molecular dynamics simulation; OSCAR; Position specific scoring matrix; Spanner; Structure prediction

Indexed keywords

ANTIBODY; SINGLE CHAIN FRAGMENT VARIABLE ANTIBODY; COMPLEMENTARITY DETERMINING REGION; IMMUNOGLOBULIN; IMMUNOGLOBULIN VARIABLE REGION;

AMINO ACID SEQUENCE; ANTIBODY STRUCTURE; ARTICLE; BIOINFORMATICS; COMPLEMENTARITY DETERMINING REGION; CRYSTAL STRUCTURE; EXPERT KNOWLEDGE; KNOWLEDGE; MEASUREMENT ACCURACY; MOLECULAR DYNAMICS; MOLECULAR MODEL; PREDICTION; PRIORITY JOURNAL; PROTEIN CONFORMATION; SEQUENCE ALIGNMENT; STRUCTURAL HOMOLOGY; ANIMAL; BIOLOGY; CHEMISTRY; HUMAN; IMMUNOGLOBULIN VARIABLE REGION; MOLECULAR GENETICS; PROCEDURES; PROTEIN DATABASE;

AMINO ACID SEQUENCE; ANIMALS; ANTIBODIES; COMPLEMENTARITY DETERMINING REGIONS; COMPUTATIONAL BIOLOGY; DATABASES, PROTEIN; HUMANS; IMMUNOGLOBULIN VARIABLE REGION; IMMUNOGLOBULINS; MOLECULAR DYNAMICS SIMULATION; MOLECULAR SEQUENCE DATA; PROTEIN CONFORMATION;

EID: 84904439050     PISSN: 08873585     EISSN: 10970134     Source Type: Journal    
DOI: 10.1002/prot.24591     Document Type: Article

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