Relationship between helix stability and binding affinities: Molecular dynamics simulations of Bfl-1/A1-binding pro-apoptotic BH3 peptide helices in explicit solvent

Journal of Biomolecular Structure and Dynamics

Volumn 31, Issue 1, 2013, Pages 65-77

  Modi, Vivek ^a   Lama, Dilraj ^a   Sankararamakrishnan, Ramasubbu ^a  

^a INDIAN INSTITUTE OF TECHNOLOGY KANPUR   (India)

Author keywords

Anti cancer drug design; Bcl 2 family; BH3 mimetic; Capping interactions; Hydrophobic clustering; Peptide inhibitors

Indexed keywords

BCL2 RELATED PROTEIN A1; BH3 PROTEIN; CELL PROTEIN; MUTANT PROTEIN; PROTEIN BAK; PROTEIN BID; PROTEIN BMF; SOLVENT; UNCLASSIFIED DRUG;

ALPHA HELIX; AMINO ACID COMPOSITION; AMINO TERMINAL SEQUENCE; BINDING AFFINITY; CARBOXY TERMINAL SEQUENCE; COMPUTER SIMULATION; CONFERENCE PAPER; EXPOSURE; HYDROPHOBICITY; MOLECULAR DYNAMICS; NUCLEOTIDE SEQUENCE; PRIORITY JOURNAL; PROTEIN CONFORMATION; PROTEIN PROTEIN INTERACTION; PROTEIN STABILITY; PROTEIN STRUCTURE; WILD TYPE;

APOPTOSIS; BINDING SITES; COMPUTER SIMULATION; HYDROPHOBIC AND HYDROPHILIC INTERACTIONS; MODELS, MOLECULAR; MOLECULAR DYNAMICS SIMULATION; MUTATION; PEPTIDE FRAGMENTS; PROTEIN BINDING; PROTEIN CONFORMATION; PROTEIN INTERACTION DOMAINS AND MOTIFS; PROTEIN STRUCTURE, SECONDARY; PROTO-ONCOGENE PROTEINS; PROTO-ONCOGENE PROTEINS C-BCL-2; SOLVENTS;

EID: 84871201320     PISSN: 07391102     EISSN: 15380254     Source Type: Journal    
DOI: 10.1080/07391102.2012.691363     Document Type: Conference Paper

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