Role of computational methods in pharmaceutical sciences

Methods in Molecular Biology

Volumn 929, Issue , 2012, Pages 21-48

  Kortagere, Sandhya ^a   Lill, Markus ^c   Kerrigan, John ^b  

^a DREXEL UNIVERSITY COLLEGE OF MEDICINE   (United States)

^b ROBERT WOOD JOHNSON MEDICAL SCHOOL   (United States)

^c NONE

Author keywords

ADME Tox; Bioinformatics; Chemoinformatics; Docking and scoring; Drug design; Homology models; Ligand based methods; PK PD modeling; Protein networks; Protein structure prediction; Protein protein interactions; Structure based methods; Systems biology; Virtual screening

Indexed keywords

ALGORITHM; ALPHA HELIX; AREA UNDER THE CURVE; ARTICLE; BETA SHEET; BLOOD BRAIN BARRIER; COMBINATORIAL CHEMISTRY; COMPARATIVE MOLECULAR FIELD ANALYSIS; COMPUTER MODEL; CONFORMATIONAL TRANSITION; DISSOCIATION CONSTANT; DRUG BIOAVAILABILITY; DRUG CLEARANCE; DRUG HALF LIFE; EQUILIBRIUM CONSTANT; HIGH THROUGHPUT SCREENING; HYDROGEN BOND; HYDROPHOBICITY; IN VITRO STUDY; IN VIVO STUDY; MACHINE LEARNING; MATHEMATICAL ANALYSIS; MOLECULAR DYNAMICS; MOLECULAR MECHANICS; MONTE CARLO METHOD; NONHUMAN; PHARMACEUTICS; PHARMACOPHORE; PHENOTYPE; PHYSICAL CHEMISTRY; PRIORITY JOURNAL; PROTEIN PROTEIN INTERACTION; PROTEIN QUATERNARY STRUCTURE; PROTEIN SECONDARY STRUCTURE; PROTEIN STRUCTURE; QUANTITATIVE STRUCTURE ACTIVITY RELATION; SEQUENCE ALIGNMENT; SITE DIRECTED MUTAGENESIS; STATISTICAL SIGNIFICANCE; STRUCTURAL BIOINFORMATICS; SUPPORT VECTOR MACHINE; SYSTEMS BIOLOGY;

EID: 84934440628     PISSN: 10643745     EISSN: None     Source Type: Book Series    
DOI: 10.1007/978-1-62703-50-2_3     Document Type: Article

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