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Download Computer-Aided Molecular Design. Applications in by Charles H. Reynolds, Katharine M. Holloway, Harold K. Cox PDF

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By Charles H. Reynolds, Katharine M. Holloway, Harold K. Cox

content material: present techniques in computer-aided molecular layout / Bruce R. Gelin --
Molecular modeling and quantitative structure-activity dating reports in pursuit of hugely effective substituted octanoamide angiotensin II receptor antagonists / Donald B. Boyd, Alan D. Palkowitz, ok. Jeff Thrasher, Kenneth L. Hauser, Celia A. Whitesitt, Jon okay. Reel, Richard L. Simon, William Pfeifer, Sherryl L. Lifer, Kumiko Takeuchi, Vasu Vasudevan, Aaron D. Kossoy, Jack B. Deeter, Mitchell I. Steinberg, Karen M. Zimmerman, Sally A. Wiest, and Winston S. Marshall --
Structure-based layout of human immunodeficiency virus-1 protease inhibitors : correlating calculated power with task / M. Katharine Holloway and Jenny M. Wai --
From maps to versions : a concerted computational method of research of the structure-activity relationships of amiloride analogues / Carol A. Venanzi, Ronald A. Buono, William J. Skawinski, Thomas J. Busanic, Thomas J. Venanzi, Randy J. Zauhar, and Victor B. Luzhkov --
De novo layout : ligand development and prediction of affinity / Tudor I. Oprea, Chris M.W. Ho, and Garland R. Marshall --
De novo layout of hugely different buildings complementary to enzyme binding websites : software to thermolysin / Regine S. Bohacek and Colin McMartin --
Computer-aided layout of latest medicines in keeping with retrometabolic suggestions / Nicholas Bodor and Ming-Ju Huang --
Molecular mechanics and dynamics reviews on amide-modified backbones in antisense oligodeoxynucleotides / R.M. Wolf, V. Fritsch, A. De Mesmaeker, J. Lebreton, and A. Waldner --
Simulations of drug diffusion in biomembranes / Terry R. Stouch, Howard E. Alper, and Donna Bassolino --
Genetic set of rules dependent approach to layout a prime reveal for antirhinovirus brokers / E.P. Jaeger, D.C. Pevear, P.J. Felock, G.R. Russo, and A.M. Treasurywala --
Semiempirical quantum chemical probes of the mechanism of chorismate mutase / Stephen B. Bowlus --
Rational layout of novel ergosterol biosynthesis inhibitor fungicides / Charles H. Reynolds and Steven H. Shaber --
layout and synthesis of 5,6-dihydro-4H-1,3,4-oxadiazines as strength octopaminergic insecticides / Mark A. Dekeyser, W. Ashley Harrison, Paul T. McDonald, G.W. attitude, Jr., Saad M.M. Ismail, and Roger G.H. Downer --
Insect aggregation pheromone reaction synergized by means of "host-type" volatiles : molecular modeling proof for shut proximity binding of pheromone and coattractant in Carpophilushemipterus (L.) (Coleoptera : Nitidulidae) / Richard J. Petroski and Roy Vaz --
Predicting task of protoporphyrinogen oxidase inhibitors via computer-aided molecular modeling / Krishna N. Reddy, Ujjana B. Nandihalli, Hee Jae Lee, Mary V. Duke, and Stephen O. Duke --
Experimental layout in natural synthesis / Lawrence H. Brannigan, Mark V. Grieshaber, and Dora M. Schnur --
Use of predictive toxicology within the layout of latest chemical substances / Vijay ok. Gombar and Kurt Enslein --
comparability of in vivo and in vitro toxicity assessments from co-inertia research / James Devillers and Daniel Chessel --
mixed use of linear and nonlinear multivariate analyses in structure-activity dating reviews : program to chemoreception / Daniel Domine, James Devillers, Maurice Chastrette, and Jean-Christophe Doré --
Comparative quantitative structure-activity courting : insect as opposed to vertebrate cholinesterase / Corwin Hansch --
impression of tautomeric equilibria on hydrophobicity as measured through partition coefficients / Albert J. Leo --
Structural research of carbyne community polymers / Scott A. top, Patricia A. Bianconi, and Kenneth M. Merz, Jr. --
laptop simulation of polyelectrolyte adsorption on mineral surfaces / Susan Fitzwater --
Simulating the habit of natural molecules in zeolites / 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, and C.R.A. Catlow --
Valence bond cost move idea for predicting nonlinear optical homes of natural fabrics / William A. Goddard, III, Daqi Lu, Guanhua Chen, and Joe W. Perry --
Theoretical research of the nitriding approach on Cr(100), Fe(100), and Ni(100) surfaces / Hansong Cheng, David B. Reiser, Paul M. Mathias, Kenneth Baumert, and Sheldon W. Dean, Jr. --
Computational research of azine-N-oxides as vigorous fabrics / James P. Ritchie --
Genetic algorithmic process for computer-aided molecular layout / Venkat Venkatasubramanian, King Chan, and James M. Caruthers.

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Lifer, S. ; Marshall, W. S. Abstracts of Papers, 207th American Chemical Society National Meeting, March 13-18, 1994, San Diego, CA, MEDI 209. 59. Palkowitz, A. ; Steinberg, M. ; Thrasher, K. ; Reel, J. ; Hauser, K. ; Zimmerman, Κ. ; Wiest, S. ; Whitesitt, C. ; Simon, R. ; Lifer, S. ; Boyd, D. ; Barnett, C. ; Wilson, T. ; Deeter, J. ; Takeuchi, K. ; Riley, R. ; Miller, W. ; Marshall, W. S. J. Med. Chem. 1994, 37, in press. 60. Lipkowitz, Κ. ; Boyd, D. , Reviews in Computational Chemistry, VCH Publishers, New York, NY; Volume I, 1990; Volume II, 1991; Volume III, 1992; Volume IV, 1993; Volume V, 1994; Volume 6, 1995.

R. J. Med. Chem. 1994, 37, 2206. 3. Doweyko, A. M. J. Med. Chem. 1994, 37, 1769-1778. 4. Farmerie, W. ; Loeb, D. ; Casavant, N. ; Hutchinson, C. , ΙII; Edgel, M. ; Swanstrom, R. Science 1987, 236, 305-308. 5. Kohl, Ν. ; Emini, Ε. ; Schleif, W. ; Davis, L. ; Heimbach, J. ; Dixon, R. A. ; Scolnick, E. ; Sigal, I. Proc. Nat. Acad. Sci. A. 1988, 85, 4686. 6. Huff, J. R. J. Med. Chem. 1991, 34, 2305-2314. 7. Navia, Μ. ; Fitzgerald, P. M. ; McKeever, Β. ; Heimbach, J. ; Herber, W. ; Sigal, I. ; Darke, P.

Trends Pharmacol. Sci. 1991, 12, 279-281. 10. Chin, H. ; Buchan, D. A. Ann. Intern. Med. 1990, 112, 312-313. 11. McEwan, J. ; Fuller, R. W. J. Cardiovasc. Pharmacol. 1989, 13 (Suppl. 3), S67-S69. 12. Skidgel, R. ; Johnson, A. ; Erdos, E. G. Peptides 1984, 5, 769-776. ; ACS Symposium Series; American Chemical Society: Washington, DC, 1995. ch002 32 COMPUTER-AIDED MOLECULAR DESIGN 13. Hansson, L. Am. J. Hypertension 1991, 4, 84S-87S. 14. Kleinert, H. ; Rosenberg, S. ; Baker, W. ; Stein, H. ; Denissen, J.

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