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Publication search results
found 27 matches
- 1989
- 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. J. Comput. Aided Mol. Des. 3(2): 175-187 (1989) - Neil L. Allan, William C. Mackrodt:
Atomistic lattice simulation of high Tc oxides. J. Comput. Aided Mol. Des. 3(4): 299-309 (1989) - Michael P. Allen, Mark R. Wilson
:
Computer simulation of liquid crystals. J. Comput. Aided Mol. Des. 3(4): 335-353 (1989) - Sonia Collin
, Daniel P. Vercauteren, Didier Vanderveken, Guy Evrard, François Durant:
Structural requirements of Na+-dependent antidopaminergic agents: Tropapride, Piquindone, Zetidoline, and Metoclopramide Comparison with Na+-independent ligands. J. Comput. Aided Mol. Des. 3(1): 39-53 (1989) - David L. Cooper
, Neil L. Allan:
A novel approach to molecular similarity. J. Comput. Aided Mol. Des. 3(3): 253-259 (1989) - Richard W. Counts:
The educational foundation of computational chemistry. J. Comput. Aided Mol. Des. 3(1): 95-96 (1989) - Richard W. Counts:
New products and rumors of new products. J. Comput. Aided Mol. Des. 3(2): 189-190 (1989) - Richard W. Counts:
The Gold Rush of '89. J. Comput. Aided Mol. Des. 3(3): 285-286 (1989) - Richard A. Dammkoehler, Steven F. Karasek, E. F. Berkley Shands, Garland R. Marshall
:
Constrained search of conformational hyperspace. J. Comput. Aided Mol. Des. 3(1): 3-21 (1989) - 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. J. Comput. Aided Mol. Des. 3(3): 225-251 (1989) - Claude Giessner-Prettre, Olivier Jacob:
A theoretical study of Zn++ interacting with models of ligands present at the thermolysin active site. J. Comput. Aided Mol. Des. 3(1): 23-37 (1989) - Hans-Dieter Höltje, M. Hense:
A molecular modeling study on binding of drugs to calmodulin. J. Comput. Aided Mol. Des. 3(2): 101-109 (1989) - Brian D. Hudson, David J. Livingstone, Elizabeth Rahr:
Pattern recognition display methods for the analysis of computed molecular properties. J. Comput. Aided Mol. Des. 3(1): 55-65 (1989) - 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. J. Comput. Aided Mol. Des. 3(1): 85-94 (1989) - Richard A. Lewis:
Determination of clefts in receptor structures. J. Comput. Aided Mol. Des. 3(2): 133-147 (1989) - Adam Liwo
, Anna Tempczyk, Zbigniew Grzonka:
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. J. Comput. Aided Mol. Des. 3(3): 261-284 (1989) - Garland R. Marshall
, Jeremy G. Vinter, Hans-Dieter Höltje:
Impediments to the scientific method. J. Comput. Aided Mol. Des. 3(1): 1 (1989) - T. J. Mitchell, M. S. Tute, G. A. Webb:
A molecular modelling study of the interaction of noradrenaline with theβ2-adrenergic receptor. J. Comput. Aided Mol. Des. 3(3): 211-223 (1989) - John M. Parker:
Molecular dynamics simulations of halide glasses. J. Comput. Aided Mol. Des. 3(4): 327-334 (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. J. Comput. Aided Mol. Des. 3(3): 195-210 (1989) - Richard E. Shute
, David E. Jackson, Barrie W. Bycroft:
Highly conformationally constrained halogenated 6-spiroepoxypenicillins as probes for the bioactive side-chain conformation of benzylpenicillin. J. Comput. Aided Mol. Des. 3(2): 149-164 (1989) - A. M. Stoneham:
Computer modelling: Future directions. J. Comput. Aided Mol. Des. 3(4): 355-361 (1989) - John O. Thomas, Miguel A. Zendejas:
Molecular dynamics simulation as a complement to diffraction in the study of disorder in crystals. J. Comput. Aided Mol. Des. 3(4): 311-325 (1989) - Marina Tintelnot, Peter Andrews:
Geometries of functional group interactions in enzyme-ligand complexes: Guides for receptor modelling. J. Comput. Aided Mol. Des. 3(1): 67-84 (1989) - Bruce C. Tofield:
Symposium overview computer simulation of inorganic solids. J. Comput. Aided Mol. Des. 3(4): 289-297 (1989) - Herman W. T. van Vlijmen, Adriaan P. IJzerman
:
Molecular modeling of a putative antagonist binding site on helix III of the β-adrenoceptor. J. Comput. Aided Mol. Des. 3(2): 165-174 (1989) - Han van de Waterbeemd, Nabil El Tayar, Pierre-Alain Carrupt, Bernard Testa:
Pattern recognition study of QSAR substituent descriptors. J. Comput. Aided Mol. Des. 3(2): 111-132 (1989)
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