Volume 8,
Number 1,
February 1994
Volume 8,
Number 2,
April 1994
- 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
- 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
- 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
- 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
- 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
Copyright © Mon Nov 16 23:33:06 2009
by Michael Ley (ley@uni-trier.de)
