Volume 17; Issue 8

Journal of Computational Chemistry

Volume 17; Issue 8

1

Loop problem in proteins: Developments on Monte Carlo simulated annealing approach

Carlacci, Louis, Englander, S. Walter

Journal:

Journal of Computational Chemistry

Year:

1996

Language:

english

File:

PDF, 994 KB

english, 1996

2

Molecular mechanics simulation studies of dienoic hydrocarbons: From alkenes to 1-Palmitoyl-2-linoleoyl-phosphatidylcholines

Li, Shusen, Huang, Ching-Hsien

Journal:

Journal of Computational Chemistry

Year:

1996

Language:

english

File:

PDF, 1.03 MB

english, 1996

3

Lattice modeling: Accuracy of energy calculations

Reva, Boris A., Sanner, Michel F., Olson, Arthur J., Finkelstein, Alexei V.

Journal:

Journal of Computational Chemistry

Year:

1996

Language:

english

File:

PDF, 538 KB

english, 1996

4

Electrostatic multipole representation of a polypeptide chain: An algorithm for simulation of polypeptide properties

Pappu, Rohit V., Schneller, William J., Weaver, David L.

Journal:

Journal of Computational Chemistry

Year:

1996

Language:

english

File:

PDF, 1.93 MB

english, 1996

5

Applications of spectral-Representation model as a potential method for Cu clusters

Tatewaki, Hiroshi, Katsuki, Shinichi, Sakai, Yoshiko, Miyoshi, Eisaku

Journal:

Journal of Computational Chemistry

Year:

1996

Language:

english

File:

PDF, 878 KB

english, 1996

6

Parametrization of GROMOS force field for oligosaccharides and assessment of efficiency of molecular dynamics simulations

Ott, Karl-Heinz, Meyer, Bernd

Journal:

Journal of Computational Chemistry

Year:

1996

Language:

english

File:

PDF, 1.39 MB

english, 1996

7

Decoupling approximations for quantum vibrational predissociation dynamics: The tests on the low-level golden rule approaches for some rare gas-Cl2, ICl complexes

Buchachenko, A. A., Baisogolov, A. Yu., Stepanov, N. F.

Journal:

Journal of Computational Chemistry

Year:

1996

Language:

english

File:

PDF, 900 KB

english, 1996

8

Enantioselective binding of α-pinene and of some cyclohexanetriol derivatives by cyclodextrin hosts: A molecular modeling study

Black, Delbert R., Parker, Craig G., Zimmerman, S. Scott, Lee, Milton L.

Journal:

Journal of Computational Chemistry

Year:

1996

Language:

english

File:

PDF, 730 KB

english, 1996

9

Parameter analysis and refinement toolkit system and its application in MM3 parameterization for phosphine and its derivatives

Liang, Guyan, Fox, Peter C., Bowen, J. Phillip

Journal:

Journal of Computational Chemistry

Year:

1996

Language:

english

File:

PDF, 1011 KB

english, 1996

10

Sum and density of states of polyatomic systems with hindered rotors

Journal:

Journal of Computational Chemistry

Year:

1996

Language:

english

File:

PDF, 636 KB

english, 1996

11

Numerical calculation of molecular surface area. I. Assessment of errors

Bliznyuk, Andrey A., Gready, Jill E.

Journal:

Journal of Computational Chemistry

Year:

1996

Language:

english

File:

PDF, 681 KB

english, 1996

12

Numerical calculation of molecular surface area. II. Speed of calculation

Bliznyuk, Andrey A., Gready, Jill E.

Journal:

Journal of Computational Chemistry

Year:

1996

Language:

english

File:

PDF, 562 KB

english, 1996

13

Fast adaptive multipole method for computation of electrostatic energy in simulations of polyelectrolyte DNA

Fenley, Marcia O., Olson, Wilma K., Chua, Kiat, Boschitsch, Alexander H.

Journal:

Journal of Computational Chemistry

Year:

1996

Language:

english

File:

PDF, 1.42 MB

english, 1996

14

Portable, parallel transformation: Distributed-Memory approach

Covick, Lawrence A., Sando, Kenneth M.

Journal:

Journal of Computational Chemistry

Year:

1996

Language:

english

File:

PDF, 817 KB

english, 1996

15

Masthead

Journal:

Journal of Computational Chemistry

Year:

1996

Language:

english

File:

PDF, 134 KB

english, 1996