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ORCIDJournal of Computer-Aided Molecular Design, Volume 2
Volume 2, Number 1, April 1988
- Garland R. Marshall
, Jeremy G. Vinter, Hans-Dieter Höltje:
The veil of commercialism. 1-2 - Frederic M. Richards:
Public access to X-ray diffraction data. 3-5 - Armin Heckel, K. M. Hasselbach:
Prediction of the three-dimensional structure of the enzymatic domain of t-PA. 7-14 - Yvonne C. Martin, Elizabeth B. Danaher, Catherine S. May, David Weininger:
MENTHOR, a database system for the storage and retrieval of three-dimensional molecular structures and associated data searchable by substructural, biologic, physical, or geometric properties. 15-29 - J. P. Waltho, Jeremy G. Vinter, A. Davis, D. H. Williams:
Forces in molecular recognition: Comparison of experimental data and molecular mechanics calculations. 31-41 - Adriaan P. IJzerman, Herman W. T. van Vlijmen:
A molecular graphics study exploring a putative ligand binding site of theβ-adrenoceptor. 43-53 - Alexander D. MacKerell Jr.:
Molecular modeling and dynamics of neuropeptide Y. 55-63 - P. Nagy:
Orientation and structure-building role of the water molecules bound at the contact surface of the dihydrofolate reductase-methotrexate complex. 65-76 - Richard W. Counts:
Forging the future. 77-78
Volume 2, Number 2, July 1988
- Maruse Sadek, Sharon L. A. Munro:
Comparative review of molecular modelling software for personal computers. 81-90 - G. Craig Hill, Timothy P. Wunz, William A. Remers:
Computer simulation of the binding of quinocarcin to DNA. Prediction of mode of action and absolute configuration. 91-106 - Andrew R. Leach, Keith Prout, Daniel P. Dolata:
An investigation into the construction of molecular models by the template joining method. 107-123 - Raymond J. Abraham, Ian S. Haworth:
A modification to the COSMIC parameterisation using ab initio constrained potential functions. 125-135 - Subramaniam Ramdas:
Computer simulations in zeolite chemistry. 137-144 - Richard M. Hyde, David J. Livingstone:
Perspectives in QSAR: Computer chemistry and pattern recognition. 145-155 - Richard W. Counts:
To buy or not to buy? 157-158 - Malcolm D. Walkinshaw:
The 1988 Oholo Conference. 159-161
Volume 2, Number 3, October 1988
- G. R. Hays, D. P. de Bruijn:
Symposium overview the Shell Conference on computer-aided molecular modelling. 165-178 - A. Dearing:
Computer-aided molecular modelling: Research study or research tool? 179-189 - Barbara Odell:
Molecular modelling in design of crop protection chemicals. 191-216 - Herman J. C. Berendsen:
Dynamic simulation as an essential tool in molecular modeling. 217-221 - Paul von Ragué Schleyer:
Application of semi-empirical and ab initio quantum mechanical calculations. 223-224 - R. A. J. Driessen, B. O. Loopstra, D. P. de Bruijn, Herman P. C. E. Kuipers, H. Schenk:
Crystallographic modelling. 225-233 - Jacques Weber, Peter Fluekiger, Pierre-Yves Morgantini, Olivier Schaad, Annick Goursot, Claude Daul:
The modelling of nucleophilic and electrophilic additions to organometallic complexes using molecular graphics techniques. 235-253 - C. Richard A. Catlow:
Strategies for modelling of catalysts. 255-258
Volume 2, Number 4, January 1989
- Terry P. Lybrand, James Andrew McCammon:
Computer simulation study of the binding of an antiviral agent to a sensitive and a resistant human rhinovirus. 259-266 - Raymond J. Abraham, Guy H. Grant:
A theoretical study of the Si-O bond in disiloxane and related molecules. 267-280 - Adam Liwo, Anna Tempczyk, Zbigniew Grzonka:
Molecular mechanics calculations on deaminooxytocin and on deamino-arginine-vasopressin and its analogues. 281-309 - Andrew T. Brint, Peter Willett:
Upperbound procedures for the identification of similar three-dimensional chemical structures. 311-320 - David E. Jackson, Barrie W. Bycroft, Trevor J. King:
Crystallographic studies and semi-empirical MNDO calculations on quisqualic acid and its analogues: Systems containing unusual pyramidal heterocyclic ring nitrogens. 321-328 - Richard W. Counts:
What is research? 329-330
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