Exploring the molecular design of protein interaction sites with molecular dynamics simulations and free energy calculations

Biochemistry

Volumn 48, Issue 2, 2009, Pages 399-414

  Liang, Shide ^a,b   Li, Liwei ^a,b   Hsu, Wei Lun ^a,b   Pilcher, Meaghan N ^a,b   Uversky, Vladimir ^a,b   Zhou, Yaoqi ^b   Dunker, A Keith ^a,b   Meroueh, Samy O ^a,b  

^a INDIANA UNIVERSITY   (United States)

^b INDIANA UNIVERSITY SCHOOL OF MEDICINE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BARNASE; BINDING EPITOPES; COMPLEX FORMATIONS; ELECTROSTATIC INTERACTIONS; ENERGETIC FACTORS; FREE-ENERGY CALCULATIONS; HOT SPOTS; HYDROPHOBIC EFFECTS; MOLECULAR DESIGNS; MOLECULAR DYNAMICS SIMULATIONS; NONPOLAR EFFECTS; PROTEIN COMPLEXES; PROTEIN INTERACTIONS; PROTEIN SURFACES; PROTEIN-PROTEIN BINDINGS; PROTEIN-PROTEIN COMPLEXES; PROTEIN-PROTEIN INTERACTIONS; REALISTIC ENVIRONMENTS; RECEPTOR FLEXIBILITIES; SECONDARY STRUCTURES; SOLVENT MOLECULAR; STABLE COMPLEXES; STRUCTURE-BASED;

BINDING ENERGY; BIOCHEMISTRY; DISSOCIATION; DYNAMICS; ELECTROSTATICS; ENTROPY; FORECASTING; FREE ENERGY; HYDROPHOBICITY; MOLECULAR DYNAMICS; PROTEINS;

DESIGN;

ALANINE; BARNASE; EPITOPE; LYSOZYME; TRYPSIN; APROTININ; BACILLUS AMYLOLIQUEFACIENS RIBONUCLEASE; BACTERIAL PROTEIN; BARSTAR PROTEIN, BACILLUS AMYLOLIQUEFACIENS; FV PROTEIN, HUMAN; HEN EGG LYSOZYME; LYMPHOKINE; PROTEIN; RIBONUCLEASE; SIALOGLYCOPROTEIN;

ARTICLE; COMPLEX FORMATION; ENERGY; ENTROPY; HYDROPHOBICITY; MOLECULAR DYNAMICS; MOLECULAR PROBE; MUTATION; PRIORITY JOURNAL; PROTEIN PROTEIN INTERACTION; PROTEIN SECONDARY STRUCTURE; PROTEIN STABILITY; SIMULATION; ALGORITHM; ANIMAL; ANTIBODY COMBINING SITE; BINDING SITE; CATTLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; CHICKEN; COMPUTER SIMULATION; HUMAN; METABOLISM; PHYSICAL PHENOMENA; PROTEIN BINDING; PROTEIN CONFORMATION; STATIC ELECTRICITY; THERMODYNAMICS;

ALGORITHMS; ANIMALS; APROTININ; BACTERIAL PROTEINS; BINDING SITES; BINDING SITES, ANTIBODY; CATTLE; CHICKENS; COMPUTER SIMULATION; ENTROPY; HUMANS; LYMPHOKINES; MODELS, CHEMICAL; MODELS, MOLECULAR; MURAMIDASE; PHYSICAL PROCESSES; PROTEIN BINDING; PROTEIN CONFORMATION; PROTEIN STRUCTURE, SECONDARY; PROTEINS; RIBONUCLEASES; SIALOGLYCOPROTEINS; STATIC ELECTRICITY; THERMODYNAMICS; TRYPSIN;

EID: 59849095562     PISSN: 00062960     EISSN: None     Source Type: Journal    
DOI: 10.1021/bi8017043     Document Type: Article

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