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Volume 20; Issue 4

Journal of Computational Chemistry

Volume 20; Issue 4

1

Fast computation, rotation, and comparison of low resolution spherical harmonic molecular surfaces

Ritchie, David W., Kemp, Graham J. L.

Journal:

Journal of Computational Chemistry

Année:

1999

Langue:

english

Fichier:

PDF, 439 KB

english, 1999

2

PM3 geometry optimization and CNDO/S-CI computation of UV/Vis spectra of large organic structures: Program description and application to poly(triacetylene) hexamer and taxotere

Baumann, Harold, Martin, Rainer E., Diederich, Fran�ois

Journal:

Journal of Computational Chemistry

Année:

1999

Langue:

english

Fichier:

PDF, 542 KB

english, 1999

3

Prodock: Software package for protein modeling and docking

Trosset, Jean-Yves, Scheraga, Harold A.

Journal:

Journal of Computational Chemistry

Année:

1999

Langue:

english

Fichier:

PDF, 240 KB

english, 1999

4

Solvation parameters for amino acids

Smith, Brian J.

Journal:

Journal of Computational Chemistry

Année:

1999

Langue:

english

Fichier:

PDF, 253 KB

english, 1999

5

Is large-scaleab initio Hartree-Fock calculation chemically accurate? Toward improved calculation of biological molecule properties

Takashima, Hajime, Kitamura, Kunihiro, Tanabe, Kazutoshi, Nagashima, Umpei

Journal:

Journal of Computational Chemistry

Année:

1999

Langue:

english

Fichier:

PDF, 315 KB

english, 1999

6

Optimization and analysis of force field parameters by combination of genetic algorithms and neural networks

Hunger, J., Huttner, G.

Journal:

Journal of Computational Chemistry

Année:

1999

Langue:

english

Fichier:

PDF, 770 KB

english, 1999