Atomic physicochemical parameters for three-dimensional-structure-directed quantitative structure-activity relationships. 2. Modeling dispersive and hydrophobic interactions

Arup K. Ghose; Gordon M. Crippen

doi:10.1021/ci00053a005

Atomic physicochemical parameters for three-dimensional-structure-directed quantitative structure-activity relationships. 2. Modeling dispersive and hydrophobic interactions

Journal of Chemical Information and Modeling ◽

10.1021/ci00053a005 ◽

1987 ◽

Vol 27 (1) ◽

pp. 21-35 ◽

Cited By ~ 416

Author(s):

Arup K. Ghose ◽

Gordon M. Crippen

Keyword(s):

Physicochemical Parameters ◽

Hydrophobic Interactions ◽

Three Dimensional ◽

Dimensional Structure ◽

Quantitative Structure ◽

Three Dimensional Structure ◽

Structure Activity Relationships ◽

Structure Activity ◽

Quantitative Structure Activity Relationships

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Atomic physicochemical parameters for three dimensional structure directed quantitative structure-activity relationships III: Modeling hydrophobic interactions

Journal of Computational Chemistry ◽

10.1002/jcc.540090111 ◽

1988 ◽

Vol 9 (1) ◽

pp. 80-90 ◽

Cited By ~ 325

Author(s):

Arup K. Ghose ◽

Avis Pritchett ◽

Gordon M. Crippen

Keyword(s):

Physicochemical Parameters ◽

Hydrophobic Interactions ◽

Three Dimensional ◽

Dimensional Structure ◽

Quantitative Structure ◽

Three Dimensional Structure ◽

Structure Activity Relationships ◽

Structure Activity ◽

Quantitative Structure Activity Relationships

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ChemInform Abstract: Atomic Physicochemical Parameters for Three Dimensional Structure Directed Quantitative Structure-Activity Relationships. Part 4. Additional Parameters for Hydrophobic and Dispersive Interactions and Their Application for an Automated

ChemInform ◽

10.1002/chin.198950038 ◽

1989 ◽

Vol 20 (50) ◽

Author(s):

V. N. VISWANADHAN ◽

A. K. GHOSE ◽

G. R. REVANKAR ◽

R. K. ROBINS

Keyword(s):

Physicochemical Parameters ◽

Three Dimensional ◽

Dimensional Structure ◽

Quantitative Structure ◽

Three Dimensional Structure ◽

Structure Activity Relationships ◽

Structure Activity ◽

Quantitative Structure Activity Relationships

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Atomic physicochemical parameters for three dimensional structure directed quantitative structure-activity relationships. 4. Additional parameters for hydrophobic and dispersive interactions and their application for an automated superposition of certain naturally occurring nucleoside antibiotics

Journal of Chemical Information and Modeling ◽

10.1021/ci00063a006 ◽

1989 ◽

Vol 29 (3) ◽

pp. 163-172 ◽

Cited By ~ 788

Author(s):

Vellarkad N. Viswanadhan ◽

Arup K. Ghose ◽

Ganapathi R. Revankar ◽

Roland K. Robins

Keyword(s):

Physicochemical Parameters ◽

Three Dimensional ◽

Dimensional Structure ◽

Quantitative Structure ◽

Three Dimensional Structure ◽

Nucleoside Antibiotics ◽

Structure Activity Relationships ◽

Naturally Occurring ◽

Structure Activity ◽

Quantitative Structure Activity Relationships

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Atomic Physicochemical Parameters for Three-Dimensional Structure-Directed Quantitative Structure-Activity Relationships I. Partition Coefficients as a Measure of Hydrophobicity

Journal of Computational Chemistry ◽

10.1002/jcc.540070419 ◽

1986 ◽

Vol 7 (4) ◽

pp. 565-577 ◽

Cited By ~ 446

Author(s):

Arup K. Ghose ◽

Gordon M. Crippen

Keyword(s):

Physicochemical Parameters ◽

Partition Coefficients ◽

Three Dimensional ◽

Dimensional Structure ◽

Quantitative Structure ◽

Three Dimensional Structure ◽

Structure Activity Relationships ◽

Structure Activity ◽

Quantitative Structure Activity Relationships

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Three-dimensional quantitative structure-activity relationships of pyrrolopyridinone as cell division cycle kinase inhibitors by CoMFA and CoMSIA

Journal of Molecular Modeling ◽

10.1007/s00894-011-1016-5 ◽

2011 ◽

Vol 17 (8) ◽

pp. 2113-2130 ◽

Cited By ~ 2

Author(s):

Junxia Zheng ◽

Gaokeng Xiao ◽

Jialiang Guo ◽

Longyi Rao ◽

Wei Chao ◽

...

Keyword(s):

Cell Division ◽

Kinase Inhibitors ◽

Three Dimensional ◽

Cell Division Cycle ◽

Quantitative Structure ◽

Structure Activity Relationships ◽

Structure Activity ◽

Quantitative Structure Activity Relationships

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ChemInform Abstract: USE OF PHYSICOCHEMICAL PARAMETERS IN DISTANCE GEOMETRY AND RELATED THREE-DIMENSIONAL QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIPS: A DEMONSTRATION USING ESCHERICHIA COLI DIHYDROFOLATE REDUCTASE INHIBITORS

Chemischer Informationsdienst ◽

10.1002/chin.198532378 ◽

1985 ◽

Vol 16 (32) ◽

Author(s):

A. K. GHOSE ◽

G. M. CRIPPEN

Keyword(s):

Escherichia Coli ◽

Dihydrofolate Reductase ◽

Physicochemical Parameters ◽

Distance Geometry ◽

Three Dimensional ◽

Quantitative Structure ◽

Reductase Inhibitors ◽

Structure Activity ◽

Quantitative Structure Activity Relationships ◽

Dihydrofolate Reductase Inhibitors

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Prediction of Cross-Recognition of Peptide-HLA A2 by Melan-A-Specific Cytotoxic T Lymphocytes Using Three-Dimensional Quantitative Structure-Activity Relationships

PLoS ONE ◽

10.1371/journal.pone.0065590 ◽

2013 ◽

Vol 8 (7) ◽

pp. e65590 ◽

Cited By ~ 3

Author(s):

Theres Fagerberg ◽

Vincent Zoete ◽

Sebastien Viatte ◽

Petra Baumgaertner ◽

Pedro M. Alves ◽

...

Keyword(s):

T Lymphocytes ◽

Cytotoxic T Lymphocytes ◽

Three Dimensional ◽

Quantitative Structure ◽

Structure Activity Relationships ◽

Structure Activity ◽

Quantitative Structure Activity Relationships

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Three-Dimensional Structure-Activity Relationships of Synthetic Pyrethroids: 2. Three-Dimensional and Classical QSAR Studies

Quantitative Structure-Activity Relationships ◽

10.1002/1521-3838(200012)19:5<455::aid-qsar455>3.0.co;2-b ◽

2000 ◽

Vol 19 (5) ◽

pp. 455-466 ◽

Cited By ~ 6

Author(s):

Hiroshi Chuman ◽

Satoru Goto ◽

Mami Karasawa ◽

Mikio Sasaki ◽

Umpei Nagashima ◽

...

Keyword(s):

Three Dimensional ◽

Dimensional Structure ◽

Synthetic Pyrethroids ◽

Three Dimensional Structure ◽

Qsar Studies ◽

Structure Activity Relationships ◽

Structure Activity

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Studies on uricosuric diuretics. 4. Three-dimensional structure-activity relationships and receptor mapping of (aryloxy)acetic acid diuretics

Journal of Medicinal Chemistry ◽

10.1021/jm00113a006 ◽

1991 ◽

Vol 34 (9) ◽

pp. 2702-2708 ◽

Cited By ~ 6

Author(s):

Hiroshi Koga ◽

Haruhiko Sato ◽

Takashi Dan ◽

Bunya Aoki

Keyword(s):

Acetic Acid ◽

Three Dimensional ◽

Dimensional Structure ◽

Three Dimensional Structure ◽

Structure Activity Relationships ◽

Receptor Mapping ◽

Structure Activity

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Three-dimensional structural databases developed for quantitative structure—activity relationships studies

Chemometrics and Intelligent Laboratory Systems ◽

10.1016/0169-7439(90)80121-l ◽

1990 ◽

Vol 8 (2) ◽

pp. 93

Keyword(s):

Three Dimensional ◽

Quantitative Structure ◽

Structure Activity Relationships ◽

Structure Activity ◽

Quantitative Structure Activity Relationships ◽

Structural Databases

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