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 |
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 |