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Journal of Computer-Aided Molecular Design, Volume 1
Volume 1, Number 1, April 1987
- Garland R. Marshall
, Jeremy G. Vinter, Hans-Dieter Höltje:
The tower of babel. 1-2 - Dorica Mayer, Christopher B. Naylor, Ioan Motoc, Garland R. Marshall
A unique geometry of the active site of angiotensin-converting enzyme consistent with structure-activity studies. 3-16 - Barry Robson, Eric Platt:
Modelling of α-lactalbumin from the known structure of hen egg white lysozyme using molecular dynamics. 17-22 - Hans-Dieter Höltje, S. Marrer:
A molecular graphics study on structure-action relationships of calcium-antagonistic and agonistic 1, 4-dihydropyridines. 23-30 - Jeremy G. Vinter, A. Davis, Martin R. Saunders:
Strategic approaches to drug design. I. An integrated software framework for molecular modelling. 31-51 - Jennifer Martin, Peter Andrews:
Conformation-activity relationships of opiate analgesics. 53-72 - Daniel P. Dolata, Andrew R. Leach
WIZARD: AI in conformational analysis. 73-85 - Gerd Folkers, Michael Krug, Susanne Trumpp:
Computer graphic study on models of the molybdenum cofactor of xanthine oxidase. 87-94 - Richard W. Counts:
What is computational chemistry? 95-96
Volume 1, Number 2, July 1987
- A. Davis, B. H. Warrington, Jeremy G. Vinter:
Strategic approaches to drug design. II. Modelling studies on phosphodiesterase substrates and inhibitors. 97-119 - Roberto Tonani, James Dunbar, Brian Edmonston, Garland R. Marshall
Computer-aided molecular modeling of a D2-agonist dopamine pharmacophore. 121-132 - Martin R. Saunders, M. S. Tute, G. A. Webb:
A theoretical study of angiotensin-converting enzyme inhibitors. 133-142 - Ingrid Pettersson, Tommy Liljefors:
Structure-activity relationships for apomorphine congeners. Conformational energies vs. biological activities. 143-152 - Souhail Tebib, Jean-Jacques Bourguignon, Camille-Georges Wermuth:
The active analog approach applied to the pharmacophore identification of benzodiazepine receptor ligands. 153-170 - Wilfred F. van Gunsteren, Herman J. C. Berendsen:
Thermodynamic cycle integration by computer simulation as a tool for obtaining free energy differences in molecular chemistry. 171-176 - Richard W. Counts:
Strategies I. 177-178
Volume 1, Number 3, October 1987
- Jette R. Byberg, Flemming Steen Jørgensen
Towards an identification of the pyrethroid pharmacophore. A molecular modelling study of some pyrethroid esters. 181-195 - Nobuo Tomioka, Akiko Itai, Yoichi Iitaka:
A method for fast energy estimation and visualization of protein-ligand interaction. 197-210 - Bogdan Lesyng, Edgar F. Meyer:
Energy minimization and molecular dynamics studies of Asn-102 elastase. 211-217 - J. Lautz, Horst Kessler, R. Kaptein, Wilfred F. van Gunsteren:
Molecular dynamics simulations of cyclosporin A: The crystal structure and dynamic modelling of a structure in apolar solution based on NMR data. 219-241 - Robert P. Sheridan, R. Venkataraghavan:
Designing novel nicotinic agonists by searching a database of molecular shapes. 243-256 - Gabriëlle M. Donné-Op den Kelder:
Distance geometry analysis of ligand binding to drug receptor sites. 257-264 - Richard W. Counts:
Strategies II. 265-266 - Donald B. Boyd, Peter A. Kollman:
Announcement. 269
Volume 1, Number 4, January 1988
- George L. Wilcox
Symposium overview Minnesota Conference on Supercomputing in Biology: Proteins, Nucleic Acids, and Water. 271-281 - Erich Wimmer:
Future in biomolecular computation. 283-290 - Scott H. Northrup, J. Alan Luton, Jeffrey O. Boles, John C. L. Reynolds:
Brownian dynamics simulation of protein association. 291-311 - John J. Wendoloski, Zelda R. Wasserman, F. R. Salemme:
Computer simulation of biological interactions and reactivity. 313-322 - Michael N. Liebman:
Molecular modeling of protein structure and function: A bioinformatic approach. 323-341
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