Volume 6,
Number 1,
1992
- Richard M. Jackson, Richard B. Sessions, J. John Holbrook:
A prediction of the three-dimensional structure of maize NADP+-dependent malate dehydrogenase which explains aspects of light-dependent regulation unique to plant enzymes.
1-18 BibTeX
- David K. Chalmers, Sharon L. A. Munro, Magdy N. Iskander, David J. Craik:
Models for the binding of amiodarone to the thyroid hormone receptor.
19-31 BibTeX
- Franca J. M. van der Klein-de Gunst, Jacques H. van Boom, Rob M. J. Liskamp:
Computer-aided molecular modeling and design of DNA-inserting molecules.
33-46 BibTeX
- U. Cosentino, G. Moro, D. Pitea, S. Scolastico, Roberto Todeschini, Carlo Scolastico:
Pharmacophore identification by molecular modeling and chemometrics: The case of HMG-CoA reductase inhibitors.
47-60 BibTeX
- Hans-Joachim Böhm:
The computer program LUDI: A new method for the de novo design of enzyne inhibitors.
61-78 BibTeX
- M. Benkoulouche, M. Cotrait, B. Maigret:
Computer simulation of the conformational behaviour of angiotensinogen (6-13) renin substrate.
79-91 BibTeX
Volume 6,
Number 2,
1992
- René C. van Schaik, Wilfred F. van Gunsteren, Herman J. C. Berendsen:
Conformational search by potential energy annealing: Algorithm and application to cyclosporin A.
97-112 BibTeX
- M. Cotrait, M. Kreissler, J. Hoflack, J.-M. Lehn, B. Maigret:
Computational simulations of the conformational behaviour of the adhesive proteins RGDS fragment.
113-130 BibTeX
- Christophe L. M. J. Verlinde, Gabrielle Rudenko, Wim G. J. Hol:
In search of new lead compounds for trypanosomiasis drug design: A protein structure-based linked-fragment approach.
131-147 BibTeX
- Rick Gussio, Sovitj Pou, Jih-Hsiang Chen, Gary W. Smythers:
A pseudoreceptor docking study of 4, 5-alpha-epoxymorphinans with a range of dielectric constants.
149-158 BibTeX
- W. Brandt, T. Lehmann, T. Hofmann, R. L. Schowen, A. Barth:
The probable conformation of substrates recognized by dipeptidyl-peptidase IV and some aspects of the Catalytic mechanism derived from theoretical investigations.
159-174 BibTeX
- Juan J. Perez, Hugo O. Villar, Gilda H. Loew:
Characterization of low-energy conformational domains for Met-enkephalin.
175-190 BibTeX
- Brian D. Hudson, Ashley R. George, Martyn G. Ford, David J. Livingstone:
Structure-activity relationships of pyrethroid insecticides. Part 2. The use of molecular dynamics for conformation searching and average parameter calculation.
191-201 BibTeX
Volume 6,
Number 3,
1992
- Svein G. Dahl, Peter A. Kollman, Shashidhar N. Rao, U. Chandra Singh:
Structural changes by sulfoxidation of phenothiazine drugs.
207-222 BibTeX
- Sucha Sudarsanam, G. Duke Virca, Carl J. March, Subhashini Srinivasan:
An approach to computer-aided inhibitor design: Application to cathepsin L.
223-233 BibTeX
- David F. V. Lewis, Henri Moereels:
The sequence homologies of cytochromes P-450 and active-site geometries.
235-252 BibTeX
- Timo Lotta, Jyrki Taskinen, Reijo Bäckström, Erkki Nissinen:
PLS modelling of structure-activity relationships of catechol O-methyltransferase inhibitors.
253-272 BibTeX
- Raymond J. Abraham, Guy H. Grant:
Charge calculations in molecular mechanics. IX. * A general parameterisation of the scheme for saturated halogen, oxygen and nitrogen compounds.
273-286 BibTeX
- Philip E. Thompson, David T. Manallack, Frank E. Blaney, Timothy Gallagher:
Conformational studies on (+)-anatoxin-a and derivatives.
287-298 BibTeX
Volume 6,
Number 4,
1992
- J.-P. Björkroth, M. Peräkylä, T. A. Pakkanen, E. Pohjala:
Quantum chemical study on the interaction of some bisphosphonates and Ca2+: The role of molecular electrostatic potentials in the prediction of binding geometry.
303-314 BibTeX
- Piercarlo Fantucci, Elena Mattioli, Anna Maria Villa, Luigi Villa:
Conformational behaviour and molecular similarity of some beta1-adrenergic ligands.
315-330 BibTeX
- Carlos Alemán, Modesto Orozco:
On the suitability of semiempirical calculations as sources of force field parameters.
331-348 BibTeX
- Mohammed A-Razzak, Robert C. Glen:
Applications of rule-induction in the derivation of quantitative structure-activity relationships.
349-383 BibTeX
- P.-L. Chau, P. M. Dean:
Automated site-directed drug design: The generation of a basic set of fragments to be used for automated structure assembly.
385-396 BibTeX
- P.-L. Chau, P. M. Dean:
Automated site-directed drug design: Searches of the Cambridge Structural Database for bond lengths in molecular fragments to be used for automated structure assembly.
397-406 BibTeX
- P.-L. Chau, P. M. Dean:
Automated site-directed drug design: An assessment of the transferability of atomic residual charges (CNDO) for molecular fragments.
407-426 BibTeX
Volume 6,
Number 5,
1992
- Paul Ruelle, Michel Buchmann, Hô Nam-Tran, Ulrich W. Kesselring:
Enhancement of the solubilities of polycyclic aromatic hydrocarbons by weak hydrogen bonds with water.
431-448 BibTeX
- Mark D. Paulsen, Rick L. Ornstein:
Predicting the product specificity and coupling of cytochrome P450cam.
449-460 BibTeX
- S. L. Chan, P.-L. Chau, J. M. Goodman:
Ligand atom partial charges assignment for complementary electrostatic potentials.
461-474 BibTeX
- Yuichi Kato, Atsushi Inoue, Miho Yamada, Nobuo Tomioka, Akiko Itai:
Automatic superposition of drug molecules based on their common receptor site.
475-486 BibTeX
- Marc C. Nicklaus, George W. A. Milne, Terrence R. Burke Jr.:
QSAR of conformationally flexible molecules: Comparative molecular field analysis of protein-tyrosine kinase inhibitors.
487-504 BibTeX
- Gerhard Bringmann, Stefan Güssregen, Holger Busse:
'ValleyScan': A new two-bond drive technique for the calculation of potential energy surfaces with less computational effort.
505-512 BibTeX
- Andrew C. Good, Edward E. Hodgkin, W. Graham Richards:
Similarity screening of molecular data sets.
513-520 BibTeX
- Heinrich R. Karfunkel, Thomas Dressler, Andreas Hirsch:
Heterofullerenes: Structure and property predictions, possible uses and synthesis proposals.
521-535 BibTeX
Volume 6,
Number 6,
1992
- Alessandra Ricca, Jean M. J. Tronchet, Jacques Weber:
Structure-activity relationship between the 3D distribution of the electrophilicity of sugar derivatives and their cytotoxic and antiviral properties.
541-552 BibTeX
- Sylvain Rault, Ronan Bureau, Juan Carlos Pilo, Max Robba:
Comparative molecular field analysis of CCK-A antagonists using field-fit as an alignment technique. A convenient guide to design new CCK-A ligands.
553-568 BibTeX
- Deborah A. Loughney, Charles F. Schwender:
A comparison of progestin and androgen receptor binding using the CoMFA technique.
569-581 BibTeX
- Gerhard Buchbauer, Susanne Winiwarter, Peter Wolschann:
Surface comparisons of some odour molecules: Conformational calculations on sandalwood odour V.
583-592 BibTeX
- Hans-Joachim Böhm:
LUDI: rule-based automatic design of new substituents for enzyme inhibitor leads.
593-606 BibTeX
- Guy W. Bemis, Irwin D. Kuntz:
A fast and efficient method for 2D and 3D molecular shape description.
607-628 BibTeX
- Christopher J. Cramer, Donald G. Truhlar:
AM1-SM2 and PM3-SM3 parameterized SCF solvation models for free energies in aqueous solution.
629-666 BibTeX
Copyright © Sun May 17 00:07:01 2009
by Michael Ley (ley@uni-trier.de)
