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Volume 13; Issue 3

Journal of Computational Chemistry

Volume 13; Issue 3

1

Masthead

Journal:

Journal of Computational Chemistry

Année:

1992

Langue:

english

Fichier:

PDF, 126 KB

english, 1992

2

PEFF: A program for the development of empirical force fields

Jan L. M. Dillen

Journal:

Journal of Computational Chemistry

Année:

1992

Langue:

english

Fichier:

PDF, 1.04 MB

english, 1992

3

Pauli repulsion in the open shell species BeH and Co+

Journal:

Journal of Computational Chemistry

Année:

1992

Langue:

english

Fichier:

PDF, 523 KB

english, 1992

4

Davydov soliton dynamics: Initial state, boundary conditions, and numerical procedure

Wolfgang Förner

Journal:

Journal of Computational Chemistry

Année:

1992

Langue:

english

Fichier:

PDF, 3.33 MB

english, 1992

5

Analysis of an intermediate in a 1,3-dipolar cycloaddition of methylsulfonyl azide

Reiner Sustmann, Willi Sicking, Helmut Quast

Journal:

Journal of Computational Chemistry

Année:

1992

Langue:

english

Fichier:

PDF, 344 KB

english, 1992

6

Charge distributions of phosphorylcholine and its derivatives

M. Schaumberger, J. Köhler

Journal:

Journal of Computational Chemistry

Année:

1992

Langue:

english

Fichier:

PDF, 1.11 MB

english, 1992

7

Standard-geometry chains fitted to X-ray derived structures: Validation of the rigid-geometry approximation. II. Systematic searches for short loops in proteins: Applications to bovine pancreatic ribonuclease A and human lysozyme

Kathleen A. Palmer, Harold A. Scheraga

Journal:

Journal of Computational Chemistry

Année:

1992

Langue:

english

Fichier:

PDF, 2.12 MB

english, 1992

8

Exploring the conformation space of cycloalkanes by linearized embedding

Gordon M. Crippen

Journal:

Journal of Computational Chemistry

Année:

1992

Langue:

english

Fichier:

PDF, 1022 KB

english, 1992

9

Free energy perturbation calculations involving potential function changes

David M. Ferguson, David A. Pearlman, William C. Swope, Peter A. Kollman

Journal:

Journal of Computational Chemistry

Année:

1992

Langue:

english

Fichier:

PDF, 995 KB

english, 1992

10

Representation of molecules by atomic charges: A new population analysis

Gyula Tasi, Imre Kiricsi, Horst Förster

Journal:

Journal of Computational Chemistry

Année:

1992

Langue:

english

Fichier:

PDF, 609 KB

english, 1992

11

Molecular docking using shape descriptors

Brian K. Shoichet, Irwin D. Kuntz, Dale L. Bodian

Journal:

Journal of Computational Chemistry

Année:

1992

Langue:

english

Fichier:

PDF, 1.78 MB

english, 1992