Works matching IS 01928651 AND DT 1995 AND VI 16 AND IP 11

Results: 14

Masthead.

Published in:: Journal of Computational Chemistry, 1995, v. 16, n. 11, p. fmi, doi. 10.1002/jcc.540161101
Publication type:: Article

Energy minimization of peptide analogues using genetic algorithms.

Published in:

Journal of Computational Chemistry, 1995, v. 16, n. 11, p. 1434, doi. 10.1002/jcc.540161112

By:

Herrmann, Frank;
Suhai, Sándor

Publication type:

Article

Gradient SHAKE: An improved method for constrained energy minimization in macromolecular simulations.

Published in:

Journal of Computational Chemistry, 1995, v. 16, n. 11, p. 1351, doi. 10.1002/jcc.540161105

By:

Duan, Yong;
Kumar, Shankar;
Rosenberg, John M.;
Kollman, Peter A.

Publication type:

Article

Docking flexible molecules: A case study of three proteins.

Published in:

Journal of Computational Chemistry, 1995, v. 16, n. 11, p. 1405, doi. 10.1002/jcc.540161109

By:

Judson, R. S.;
Tan, Y. T.;
Mori, E.;
Melius, C.;
Jaeger, E. P.;
Treasurywala, A. M.;
Mathiowetz, A.

Publication type:

Article

Announcement.

Published in:: Journal of Computational Chemistry, 1995, v. 16, n. 11, p. 1447, doi. 10.1002/jcc.540161114
Publication type:: Article

Multidimensional free-energy calculations using the weighted histogram analysis method.

Published in:

Journal of Computational Chemistry, 1995, v. 16, n. 11, p. 1339, doi. 10.1002/jcc.540161104

By:

Kumar, Shankar;
Rosenberg, John M.;
Bouzida, Djamal;
Swendsen, Robert H.;
Kollman, Peter A.

Publication type:

Article

An efficient approach to calculation of zero-flux atomic surfaces and generation of atomic integration data.

Published in:

Journal of Computational Chemistry, 1995, v. 16, n. 11, p. 1394, doi. 10.1002/jcc.540161108

By:

Stefanov, Boris B.;
Cioslowski, Jerzy

Publication type:

Article

A highly portable parallel implementation of AMBER4 using the message passing interface standard.

Published in:

Journal of Computational Chemistry, 1995, v. 16, n. 11, p. 1420, doi. 10.1002/jcc.540161110

By:

Vincent, James J.;
Merz, Kenneth M.

Publication type:

Article

Application of the multimolecule and multiconformational RESP methodology to biopolymers: Charge derivation for DNA, RNA, and proteins.

Published in:

Journal of Computational Chemistry, 1995, v. 16, n. 11, p. 1357, doi. 10.1002/jcc.540161106

By:

Cieplak, Piotr;
Cornell, Wendy D.;
Bayly, Christopher;
Kollman, Peter A.

Publication type:

Article

Effects of the cutoff center on the mean potential and pair distribution functions in liquid water.

Published in:

Journal of Computational Chemistry, 1995, v. 16, n. 11, p. 1428, doi. 10.1002/jcc.540161111

By:

Gabdoulline, Razif R.;
Zheng, Chong

Publication type:

Article

A molecular dynamics study of the inhibition of chicken dihydrofolate reductase by a phenyl triazine.

Published in:

Journal of Computational Chemistry, 1995, v. 16, n. 11, p. 1378, doi. 10.1002/jcc.540161107

By:

Leach, Andrew R.;
Klein, Teri E.

Publication type:

Article

Density functional theory and molecular clusters.

Published in:

Journal of Computational Chemistry, 1995, v. 16, n. 11, p. 1315, doi. 10.1002/jcc.540161102

By:

Hobza, Pavel;
šponer, Jiří;
Reschel, Tomáš

Publication type:

Article

Implementation of reaction field methods in quantum chemistry computer codes.

Published in:

Journal of Computational Chemistry, 1995, v. 16, n. 11, p. 1445, doi. 10.1002/jcc.540161113

By:

De Vries, A. H.;
Van Duijnen, P. Th.;
Juffer, A. H.;
Rullmann, J. A. C.;
Dijkman, J. P.;
Merenga, H.;
Thole, B. T.

Publication type:

Article

Analysis of the updated Hessian matrices for locating transition structures.

Published in:

Journal of Computational Chemistry, 1995, v. 16, n. 11, p. 1326, doi. 10.1002/jcc.540161103

By:

Bofill, Josep Maria;
Comajuan, Móanica

Publication type:

Article