Overview Of Rational Drug Design / M. Rami Reddy And Abby L. Parrill -- Conformational And Energetic Aspects Of Receptor-ligand Recognition / J.d. Hirst, B. Dominy, Z. Guo, M. Vieth, And C.l. Brooks -- New Free Energy Calculation Methods For Structure-based Drug Design And Prediction Of Protein Stability / Lu Wang, Mats A.l. Eriksson, Jed Pitera, And Peter A. Kollman -- Binding Evaluation Using The Finite Difference Solution To The Linearized Poisson-boltzmann Equation And Solvation Entropy Correction / Jian Shen -- Smog, A Ligand Design Method Based On Knowledge-based Parametrization Of A Solvent Reorganization Model / Robert S. Dewitte And Eugene I. Shakhnovich -- The Evaluation Of Multi-body Dynamics For Studying Ligand-protein Interactions : Using Mbo(n)d To Probe The Unbinding Pathways Of Cbz-val-phe-phe-val-cbz From The Active Site Of Hiv-1 Protease / Donovan Chin, David N. Haney, Katya Delak, Hon M. Chun, And Carlos E. Padilla --^ Calculation Of Relative Hydration Free Energy Differences For Heteroaromatic Compounds : Use In The Design Of Amp Deaminase Inhibitors / Mark D. Erion And M. Rami Reddy -- New Tools For Rational Drug Design / Gregory D. Hawkins, Jiabo Li, Tianhai (tony) Zhu, Candee C. Chambers, David J. Giesen, Daniel A. Liotard, Christopher J. Cramer, And Donald G. Truhlar -- Rational Approaches To Inhibition Of Human Osteoclast Cathepsin K And Treatment Of Osteoporosis / Sherin S. Abdel-meguid, Baoguang Zhao, Ward W. Smith, Cheryl A. Hanson, Judith Lalonde, Thomas Carr, Karla D'alessio, Michael S. Mcqueney, H.-j. Oh, Scott K. Thompson, Daniel F. Veber, And Dennis S. Yamashita -- Building A Hypothesis For Nucleotide Transport Inhibitors / K. Raghavan, Scott D. Kahn, And John K. Buolamwini --^ Unified Pharmacophoric Model For Cannabinoids And Aminoalkylindoles Derived From Molecular Superimposition Of Cb1 Cannabinoid Receptor Agonists Cp55244 And Win55212-2 / Joong-youn Shim, Elizabeth R. Collantes, William J. Welsh, And Allyn C. Howlett -- Structure-based Design Of Novel Conformationally Restricted Hiv Protease Inhibitors / B.g. Rao, C.t. Baker, J.t. Court, D.d. Deininger, J.p. Griffith, E.e. Kim, J.l. Kim, B. Li, S. Pazhanisamy, F.g. Salituro, W.c. Schairer, And R.d. Tung -- New Tricks For An Old Dog : Development And Application Of Novel Qsar Methods For Rational Design Of Combinatorial Chemical Libraries And Database Mining / A. Tropsha, S.j. Cho, And W. Zheng -- Molecular Hologram Qsar / Trevor W. Heritage And David R. Lowis --^ Adapting Structure-based Drug Design In The Paradigm Of Combinatorial Chemistry And High-throughput Screening : An Overview And New Examples With Important Caveats For Newcomers To Combinatorial Library Design Using Pharmacophore Models Or Multiple Copy Simultaneous Search Fragments / Arup K. Ghose, Veharkad N. Viswanadhan, And John J. Wendoloski -- The Basic Shape Topology Of Protein Interfaces / John Lawton, Melanie Tudor, And W. Todd Wipke -- Evolutionary Algorithms In Computer-aided Molecular Design : A Review Of Current Applications And A Look To The Future / David E. Clark -- Further Development Of A Genetic Algorithm For Ligand Docking And Its Application To Screening Combinatorial Libraries / Gareth Jones, Peter Willett, Robert C. Glen, Andrew R. Leach, And Robin Taylor --^ Reduced Dimensionality In Ligand-protein Structure Prediction : Covalent Inhibitors Of Serine Proteases And Design Of Site-directed Combinatorial Libraries / Daniel K. Gehlhaar, Djamal Bouzida, And Paul A. Rejto -- Development And Validation Of The Eva Descriptor For Qsar Studies / David B. Turner, Peter Willett, Allan M. Ferguson, And Trevor W. Heritage -- Pro_analog, Automated Analog Building According To Principles Of Medicinal Chemistry / Richard G.a. Bone, Michael A. Firth, Richard A. Sykes, Christopher W. Murray, And Jin Li -- Is Rational Design Good For Anything? / Donald B. Boyd. Abby L. Parrill, M. Rami Reddy, [editors]. Developed From A Symposium Sponsored By The Division Of Computers In Chemistry At The 214th National Meeting Of The American Chemical Society, Las Vegas, Nevada, September 7-12, 1997. Includes Bibliographical References And Indexes.
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