Works matching IS 01928651 AND DT 1994 AND VI 15 AND IP 11

Results: 12

Comparison of the molecular mechanics + generalized Born/surface area and the ab initio + Monte Carlo simulation methods in estimating conformational equilibria in aqueous solution.

Published in:

Journal of Computational Chemistry, 1994, v. 15, n. 11, p. 1228, doi. 10.1002/jcc.540151105

By:

Nagy, Peter I.;
Bitar, Joseph E.;
Smith, Douglas A.

Publication type:

Article

Stability of two-dimensional crystalline aggregates of a protein studied by molecular dynamics.

Published in:

Journal of Computational Chemistry, 1994, v. 15, n. 11, p. 1278, doi. 10.1002/jcc.540151109

By:

Higo, Junichi;
Yamaki, Mariko;
Hogyoku, Michiru;
Takahashi, Takuya;
Endo, Shigeru;
Nagayama, Kuniaki

Publication type:

Article

A rapidly convergent simulation method: Mixed Monte Carlo/stochastic dynamics.

Published in:

Journal of Computational Chemistry, 1994, v. 15, n. 11, p. 1302, doi. 10.1002/jcc.540151111

By:

Guarnieri, Frank;
Still, W. Clark

Publication type:

Article

The effects of solvent screening in quantum mechanical calculations in protein systems.

Published in:

Journal of Computational Chemistry, 1994, v. 15, n. 11, p. 1217, doi. 10.1002/jcc.540151104

By:

Baldridge, K.;
Fine, R.;
Hagler, A.

Publication type:

Article

Algorithm to infer the structures of molecular formulas within a reaction pathway.

Published in:

Journal of Computational Chemistry, 1994, v. 15, n. 11, p. 1266, doi. 10.1002/jcc.540151108

By:

Valdés-Pérez, Raúl E.

Publication type:

Article

Linear dependency in the refinement of force constants with the Jacobian method.

Published in:

Journal of Computational Chemistry, 1994, v. 15, n. 11, p. 1291, doi. 10.1002/jcc.540151110

By:

Ganda-Kesuma, Fransiska S.;
Miller, Kenneth J.

Publication type:

Article

Transition structure modeling by intersecting potential energy surfaces.

Published in:

Journal of Computational Chemistry, 1994, v. 15, n. 11, p. 1199, doi. 10.1002/jcc.540151103

By:

Jensen, Frank

Publication type:

Article

Thermodynamic molecular mechanics force field: Modified QCFF program.

Published in:

Journal of Computational Chemistry, 1994, v. 15, n. 11, p. 1254, doi. 10.1002/jcc.540151107

By:

Kar, Mangalya;
Lenz, Terry G.;
Vaughan, John D.

Publication type:

Article

Gaussian multipoles in practice: Electrostatic energies for intermolecular potentials.

Published in:

Journal of Computational Chemistry, 1994, v. 15, n. 11, p. 1187, doi. 10.1002/jcc.540151102

By:

Wheatley, Richard J.;
Mitchell, John B. O.

Publication type:

Article

Reversed stereochemical preference in binding of Ro 31-8959 to HIV-1 proteinase: A free energy perturbation analysis.

Published in:

Journal of Computational Chemistry, 1994, v. 15, n. 11, p. 1241, doi. 10.1002/jcc.540151106

By:

Rao, B. G.;
Murcko, M. A.

Publication type:

Article

Masthead.

Published in:: Journal of Computational Chemistry, 1994, v. 15, n. 11, p. fmi, doi. 10.1002/jcc.540151101
Publication type:: Article

Combined molecular mechanical and quantum mechanical potential study of a nucleophilic addition reaction in solution.

Published in:

Journal of Computational Chemistry, 1994, v. 15, n. 11, p. 1311, doi. 10.1002/jcc.540151112

By:

Liu, Haiyan;
Shi, Yunyu

Publication type:

Article