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Journal of Computer-Aided Molecular Design, Volume 3
Volume 3, Number 1, March 1989
- Garland R. Marshall
, Jeremy G. Vinter, Hans-Dieter Höltje:
Impediments to the scientific method. 1 - Richard A. Dammkoehler, Steven F. Karasek, E. F. Berkley Shands, Garland R. Marshall
Constrained search of conformational hyperspace. 3-21 - Claude Giessner-Prettre, Olivier Jacob:
A theoretical study of Zn++ interacting with models of ligands present at the thermolysin active site. 23-37 - Sonia Collin
Structural requirements of Na+-dependent antidopaminergic agents: Tropapride, Piquindone, Zetidoline, and Metoclopramide Comparison with Na+-independent ligands. 39-53 - Brian D. Hudson, David J. Livingstone, Elizabeth Rahr:
Pattern recognition display methods for the analysis of computed molecular properties. 55-65 - Marina Tintelnot, Peter Andrews:
Geometries of functional group interactions in enzyme-ligand complexes: Guides for receptor modelling. 67-84 - M. Kreissler, Michel Pesquer, Bernard Maigret, Marie-Claude Fournié-Zaluski, Bernard-Pierre Roques:
Computer simulation of the conformational behavior of cholecystokinin fragments: Conformational families of sulfated CCK8. 85-94 - Richard W. Counts:
The educational foundation of computational chemistry. 95-96
Volume 3, Number 2, June 1989
- Hans-Dieter Höltje, M. Hense:
A molecular modeling study on binding of drugs to calmodulin. 101-109 - Han van de Waterbeemd, Nabil El Tayar, Pierre-Alain Carrupt, Bernard Testa:
Pattern recognition study of QSAR substituent descriptors. 111-132 - Richard A. Lewis:
Determination of clefts in receptor structures. 133-147 - Richard E. Shute
Highly conformationally constrained halogenated 6-spiroepoxypenicillins as probes for the bioactive side-chain conformation of benzylpenicillin. 149-164 - Herman W. T. van Vlijmen, Adriaan P. IJzerman
Molecular modeling of a putative antagonist binding site on helix III of the β-adrenoceptor. 165-174 - Raymond J. Abraham, Paul E. Smith:
Charge calculations in molecular mechanics 7: Application to polar π systems incorporating nitro, cyano, amino, C=S and thio substituents. 175-187 - Richard W. Counts:
New products and rumors of new products. 189-190
Volume 3, Number 3, September 1989
- Michel F. Sanner, Armin Widmer, Hans Senn, Werner Braun:
GEOM: A new tool for molecular modelling based on distance geometry calculations with NMR data. 195-210 - T. J. Mitchell, M. S. Tute, G. A. Webb:
A molecular modelling study of the interaction of noradrenaline with theβ2-adrenergic receptor. 211-223 - John H. Van Drie, David Weininger, Yvonne C. Martin:
ALADDIN: An integrated tool for computer-assisted molecular design and pharmacophore recognition from geometric, steric, and substructure searching of three-dimensional molecular structures. 225-251 - David L. Cooper
A novel approach to molecular similarity. 253-259 - Adam Liwo
Theoretical studies of the mechanism of the action of the neurohypophyseal hormones. I. Molecular electrostatic potential (MEP) and molecular electrostatic field (MEF) maps of some vasopressin analogues. 261-284 - Richard W. Counts:
The Gold Rush of '89. 285-286
Volume 3, Number 4, December 1989
- Bruce C. Tofield:
Symposium overview computer simulation of inorganic solids. 289-297 - Neil L. Allan, William C. Mackrodt:
Atomistic lattice simulation of high Tc oxides. 299-309 - John O. Thomas, Miguel A. Zendejas:
Molecular dynamics simulation as a complement to diffraction in the study of disorder in crystals. 311-325 - John M. Parker:
Molecular dynamics simulations of halide glasses. 327-334 - Michael P. Allen, Mark R. Wilson
Computer simulation of liquid crystals. 335-353 - A. M. Stoneham:
Computer modelling: Future directions. 355-361
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