Volume 8, Number 1, February 1994

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  Stephen D. Rufino, Tom L. Blundell: Structure-based identification and clustering of protein families and superfamilies. 5-27
• 
  Dale F. Mierke, Thomas Huber, Horst Kessler: Coupling constants agian: Experimental restraints in structure refinement. 29-40
• 
  Donald J. Abraham, Glen Eugene Kellogg: The effect of physical organic properties on hydrophobic fields. 41-49
• 
  Georges Lauri, Paul A. Bartlett: CAVEAT: A program to facilitate the design of organic molecules. 51-66
• 
  D. Byrne, Jin Li, E. Platt, Barry Robson, Paul Weiner: Novel algorithms for searching conformational space. 67-82

Volume 8, Number 2, April 1994

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  Patrick Gaillard, Pierre-Alain Carrupt, Bernard Testa, Alain Boudon: Molecular Lipophilicity Potential, a tool in 3D QSAR: Method and applications. 83-96
• 
  Giovanni Greco, Ettore Novellino, Maurizio Pellecchia, Carlo Silipo, Antonio Vittoria: Effects of variable selection on CoMFA coefficient contour maps in a set of triazines inhibiting DHFR. 97-112
• 
  William M. Southerland: A molecular model of the folate binding site of Pneumocystis carinii dihydrofolate reductase. 113-122
• 
  Maria Novella Romanelli, Silvia Dei, Serena Scapecchi, Elisabetta Teodori, Fulvio Gualtieri, Roberta Budriesi, Raimund Mannhold: Semi-rigid analogues of the calcium antagonist verapamil: A molecular modelling study. 123-134
• 
  Anne Mullaley, Robin Taylor: Conformational properties of pyrethroids. 135-152
• 
  Michael D. Miller, Simon K. Kearsley, Dennis J. Underwood, Robert P. Sheridan: FLOG: A system to select 'quasi-flexible' ligands complementary to a receptor of known three-dimensional structure. 153-174
• 
  Isabelle Callebaut, Anne Tasso, Robert Brasseur, Arsène Burny, Daniel Portetelle, Jean Paul Mornon: Common prevalence of alanine and glycine in mobile reactive centre loops of serpins and viral fusion peptides: Do prions possess a fusion peptide? 175-191
• 
  J. M. R. Parker, R. S. Hodges: HomologyPlot: Searching for homology to a family of proteins using a database of unique conserved patterns. 193-210
• 
  Laura Belvisi, Gianpaolo Bravi, Carlo Scolastico, Anna Vulpetti, Aldo Salimbeni, Roberto Todeschini: A 3D QSAR approach to the search for geometrical similarity in a series of nonpeptide angiotensin II receptor antagonists. 211-220

Volume 8, Number 3, June 1994

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  B. J. Howlin, N. P. Tomkinson, J. Chen, G. A. Webb: Design of potential angiogenin inhibitors. 223-230
• 
  Renee L. DesJarlais, J. Scott Dixon: A shape- and chemistry-based docking method and its use in the design of HIV-1 protease inhibitors. 231-242
• 
  Hans-Joachim Böhm: The development of a simple empirical scoring function to estimate the binding constant for a protein-ligand complex of known three-dimensional structure. 243-256
• 
  Laurence Leherte, Frank H. Allen: Shape information from a critical point analysis of calculated electron density maps: Application to DNA-drug systems. 257-272
• 
  German Urbina-Villalba, Estrella Rogel, María Lupe Márquez, Isaac Reif: Hydrophile-lipophile balance of alkyl ethoxylated surfactants as a function of intermolecular energies. 273-282
• 
  Andrew R. Leach, Simon R. Kilvington: Automated molecular design: A new fragment-joining algorithm. 283-298
• 
  Elaine C. Meng, Irwin D. Kuntz, Donald J. Abraham, Glen Eugene Kellogg: Evaluating docked complexes with the HINT exponential function and empirical atomic hydrophobicities. 299-306
• 
  Osmar Norberto de Souza, Julia M. Goodfellow: Molecular dynamics simulations of oligonucleotides in solution: Visualisation of intrinsic curvature. 307-322
• 
  Robert P. Sheridan, Robert B. Nachbar, Bruce L. Bush: Extending the trend vector: The trend matrix and sample-based partial least squares. 323-340
• 
  Alessandro Giolitti, Carlo A. Maggi: Structural comparison of NK₂ receptor agonists and antagonists. 341-344

Volume 8, Number 4, August 1994

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  Nobuo Tomioka, Akiko Itai: GREEN: A program package for docking studies in rational drug design. 347-366
• 
  Petra Kern, Roger M. Brunne, Gerd Folkers: Nucleotide-binding properties of adenylate kinase from Escherichia coli: A molecular dynamics study in aqueous and vacuum environments. 367-388
• 
  Mark D. Paulsen, Rick L. Ornstein: Active-site mobility inhibits reductive dehalogenation of 1, 1, 1-trichloroethane by cytochrome P450cam. 389-404
• 
  Jonathan D. Hirst, Ross D. King, Michael J. E. Sternberg: Quantitative structure-activity relationships by neural networks and inductive logic programming. I. The inhibition of dihydrofolate reductase by pyrimidines. 405-420
• 
  Jonathan D. Hirst, Ross D. King, Michael J. E. Sternberg: Quantitative structure-activity relationships by neural networks and inductive logic programming. II. The inhibition of dihydrofolate reductase by triazines. 421-432
• 
  Yuan-Ping Pang, Javid Zaidi, Alan P. Kozikowski, Bernadette Cusack, Elliott Richelson: Rational design of novel neurotensin mimetics: Discovery of a pharmacologically unprecedented agent exhibiting concentration-dependent dual effects as antagonist and full agonist. 433-440
• 
  Jordi Casanovas, Carlos Alemán: A quantum-mechanical study of the chain-length dependent stability of the extended and 3₁₀-helix conformations in dehydroalanine oligopeptides. 441-448
• 
  Kiyoshi Hasegawa, Takeo Deushi, Hiroshi Yoshida, Yoshikatsu Miyashita, Shin-ichi Sasaki: Chemometric QSAR studies of antifungal azoxy compounds. 449-456
• 
  Robert C. Glen: A fast empirical method for the calculation of molecular polarizability. 457-466
• 
  Richard A. Lewis, Andrew R. Leach: Current methods for site-directed structure generation. 467-475

Volume 8, Number 5, October 1994

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  Ursula Egner, Georg-Alexander Hoyer, Wolf-Dieter Schleuning: Rational design of hirulog-type inhibitors of thrombin. 479-490
• 
  Kristine Prendergast, Kym Adams, William J. Greenlee, Robert B. Nachbar, Arthur A. Patchett, Dennis J. Underwood: Derivation of a 3D pharmacophore model for the angiotensin-II site one receptor. 491-512
• 
  P.-L. Chau, P. M. Dean: Electrostatic complementarity between proteins and ligands. 1. Charge disposition, dielectric and interface effects. 513-525
• 
  P.-L. Chau, P. M. Dean: Electrostatic complementarity between proteins and ligands. 2. Ligand moieties. 527-544
• 
  P.-L. Chau, P. M. Dean: Electrostatic complementarity between proteins and ligands. 3. Structural basis. 545-564
• 
  Simon K. Kearsley, Dennis J. Underwood, Robert P. Sheridan, Michael D. Miller: Flexibases: A way to enhance the use of molecular docking methods. 565-582
• 
  Gerhard Klebe, Thomas Mietzner: A fast and efficient method to generate biologically relevant conformations. 583-606
• 
  Julie A. Braatz, Michael B. Bass, Rick L. Ornstein: An evaluation of molecular models of the cytochrome P450 Streptomyces griseolus enzymes P450SU1 and P450SU2. 607-622
• 
  Hans-Joachim Böhm: On the use of LUDI to search the Fine Chemicals Directory for ligands of proteins of known three-dimensional structure. 623-632

Volume 8, Number 6, December 1994

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  Ajay N. Jain, Thomas G. Dietterich, Richard H. Lathrop, David Chapman, Roger E. Critchlow Jr., Barr E. Bauer, Teresa A. Webster, Tomás Lozano-Pérez: Compass: A shape-based machine learning tool for drug design. 635-652
• 
  J. G. Vinter: Extended electron distributions applied to the molecular mechanics of some intermolecular interactions. 653-668
• 
  Yuan-Ping Pang, Alan P. Kozikowski: Prediction of the binding sites of huperzine A in acetylcholinesterase by docking studies. 669-681
• 
  Yuan-Ping Pang, Alan P. Kozikowski: Prediction of the binding site of 1-benzyl-4-[(5, 6-dimethoxy-l-indanon-2-yl)methyl]piperidine in acetylcholinesterase by docking studies with the SYSDOC program. 683-693
• 
  Thomas Huber, Andrew E. Torda, Wilfred F. van Gunsteren: Local elevation: A method for improving the searching properties of molecular dynamics simulation. 695-708
• 
  Gerhard Müller, Marion Gurrath, Horst Kessler: Pharmacophore refinement of gpIIb/IIIa antagonists based on comparative studies of antiadhesive cyclic and acyclic RGD peptides. 709-730
• 
  Peter D. J. Grootenhuis, Diana C. Roe, Peter A. Kollman, Irwin D. Kuntz: Finding potential DNA-binding compounds by using molecular shape. 731-750
• 
  Gerhard Klebe, Thomas Mietzner, Frank Weber: Different approaches toward an automatic structural alignment of drug moleculars: Applications to sterol mimics, thrombin and thermolysin inhibitors. 751-778

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