Computer-aided molecular design : applications in agrochemicals, materials, and pharmaceuticals

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Computer-aided molecular design : applications in agrochemicals, materials, and pharmaceuticals / Charles H. Reynolds, editor, M. Katharine Holloway, editor, Harold K. Cox, editor

資料種別:

図書

出版情報:

Washington, DC : American Chemical Society, 1995

形態:

x, 428 p. ; 24 cm

シリーズ名:

ACS symposium series ; 589 <BA00073096>

著者名:

American Chemical Society. Meeting <DA00033699>

Reynolds, Charles H. <DA02821085>

Holloway, M. Katharine

Cox, Harols K.

American Chemical Society. Division of Computers in Chemistry <DA00186918>

American Chemical Society. Division of Agrochemicals <DA02836934>

さらに 1 件

ISBN:

9780841231603 [0841231605]

書誌ID:

BA25554367

子書誌情報

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注記:

"Developed from a symposium sponsored by the Division of Computers in Chemistry and the Division of Agrochemicals at the 207th National Meeting of the American Chemical Society, San Diego, California, March 13-17, 1994"

言語:

英語

目次情報:

Current Approaches in Computer-Aided Molecular Design / D.B. Boyd ; A.D. Palkowitz ; K.J. Thrasher ; K.L. Hauser ; C.A. Whitesitt ; J.K.Reel ; R.L. Simon ; W. Pfeifer ; S.L. Lifer ; K. Takeuchi ; V. Vasudevan ; A.D.Kossoy ; J.B. Deeter ; M.I. Steinberg ; K.M. Zimmerman ; S.A. Wiest ; W.S.Marshall

Molecular Modeling and Quantitative Structure-Activity Relationship

Studies in Pursuit of Highly Potent Substituted Octanoamide Angiotensin IIReceptor Antagonists / M. K. Holloway ; J.M. Wai

Structure-Based Design of Human ImmunodeficiencyVirus-1 Protease Inhibitors

Correlating Calculated Energy with Activity / C.A. Venanzi ; R. A. Buono ; W.J. Skawinski ; T.J. Busanic ; T.J. Venanzi ; R.J.Zauhar ; and V.B. Luzhkov

From Maps to Models: A Concerted Computational

Approach to Analysis of the Structure-Activity Relationships of Amiloride

AnaloguesT.I. Oprea / C.M.W. Ho ; and G.R. Marshall

De Novo Design: Ligand Constructionand Prediction of Affinity / R.S. Bohacek ; C. McMartin

De Novo Design of Highly Diverse StructuresComplementary to Enzyme Binding Sites: Application to Thermolysin / N. Bodor ; M.-J. Huang

Computer-Aided Design of New Drugs Based on

Retrometabolic Concepts / R.M. Wolf ; V. Fritsch ; A. De Mesmaeker ; J. Lebreton ; A. Waldner

Molecular Mechanics and Dynamics Studies on Amide-Modified Backbones in AntisenseOligodeoxynucleotidesT.R. Stouch / H.E. Alper ; and D. Bassolino

Simulations of Drug Diffusion inBiomembranes / E.P. Jaeger ; D.C. Pevear ; P.J. Felock ; G.R. Russo ; A.M. Treasurywala

Genetic Algorithm Based Method To Design a Primary Screen for AntirhinovirusAgents / S.B. Bowlus

Semiempirical Quantum Chemical Probes of the Mechanism ofChorismate Mutase / C.H. Reynolds ; S.H. Shaber

Rational Design of Novel Ergosterol BiosynthesisInhibitor Fungicides / M.A. Dekeyser ; W.A. Harrison ; P.T. McDonald ; G. W. Angle ; Jr. ; S.M.M. Ismail ; R.G.H. Downer

Design and Synthesis of 5,6-Dihydro-4H-1,3,4-oxadiazines asPotential Octopaminergic Pesticides / R.J. Petroski ; R. Vaz

Insect Aggregation Pheromone Response Synergized by"Host-Type" Volatiles

Molecular Modeling Evidence for Close Proximity Bindingof Pheromone and Coattractant in Carpophilushemipterus (L.) (Coleoptera:Nitidulidae) / K.N. Reddy ; U.B. Nandihalli ; H.J. Lee ; M.V. Duke ; S.O. Duke

PredictingActivity of Protoporphyrinogen Oxidase Inhibitors by Computer-Aided MolecularModeling / L.H. Brannigan ; M.V. Grieshaber ; D.M. Schnur

Experimental Design in OrganicSynthesis / V.K. Gombar ; K. Enslein

Use of Predictive Toxicology in the Design of NewChemicals / J. Devillers ; D. Chessel

Comparison of In Vivo and In Vitro Toxicity Testsfrom Co-inertia Analysis / D. Domine ; M. Chastrette ; J.-C. Dore

Combined Use of Linearand Nonlinear Multivariate Analyses in Structure-Activity Relationship Studies:Application to Chemoreception / C. Hansch

Comparative Quantitative Structure-Activity Relationship

InsectVersus Vertebrate Cholinesterase / A.J. Leo

Effect of Tautomeric Equilibria on Hydrophobicity as Measured byPartition Coefficients / S.A. Best ; P.A. Bianconi ; and K.M. Merz ; Jr

Structural Analysis of CarbyneNetwork PolymersS. Fitzwater

Computer Simulation of Polyelectrolyte Adsorption on Mineral

Surfaces / C.M. Freeman ; D.W. Lewis ; T.V. Harris ; A.K. Cheetham ; N.J. Henson ; P.A. Cox ; A.M. Gorman ; S.M. Levine ; J.M. Newsam ; E. Hernandez ; C.R.A. Catlow

Simulating the Behavior of Organic Molecules in Zeolites / W.A. Goddard III ; D. Lu ; G. Chen ; J.W. Perry

Valence Bond Charge Transfer

Theory for Predicting Nonlinear Optical Properties of Organic Materials / H. Cheng ; D.B. Reiser ; P.M. Mathias ; K. Baumert ; and S.W. Dean

TheoreticalStudy of the Nitriding Process on Cr(100) / Fe(100) ; and Ni(100) Surfaces ; J.P. Ritchie

Computational Analysis of Azine-N-oxides as Energetic Materials / V. Venkatasubramanian ; K. Chan ; and J.M. Caruthers

Genetic Algorithmic Approachfor Computer-Aided Molecular Design

Molecular Modeling and Quantitative Structure-Activity Relationship

Studies in Pursuit of Highly Potent Substituted Octanoamide Angiotensin IIReceptor Antagonists / M. K. Holloway ; J.M. Wai

Structure-Based Design of Human ImmunodeficiencyVirus-1 Protease Inhibitors

Correlating Calculated Energy with Activity / C.A. Venanzi ; R. A. Buono ; W.J. Skawinski ; T.J. Busanic ; T.J. Venanzi ; R.J.Zauhar ; and V.B. Luzhkov

From Maps to Models: A Concerted Computational

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