Free energy derivatives: A new method for probing the convergence problem in free energy calculations.
- Published in:
- Journal of Computational Chemistry, 1994, v. 15, n. 1, p. 105, doi. 10.1002/jcc.540150112
- By:
- Publication type:
- Article
Works matching IS 01928651 AND DT 1994 AND VI 15 AND IP 1
Results: 12
1
2
Masthead.
- Published in:
- Journal of Computational Chemistry, 1994, v. 15, n. 1, p. fmi, doi. 10.1002/jcc.540150101
- Publication type:
- Article
3
Performance of fast multipole methods for calculating electrostatic interactions in biomacromolecular simulations.
- Published in:
- Journal of Computational Chemistry, 1994, v. 15, n. 1, p. 28, doi. 10.1002/jcc.540150105
- By:
- Publication type:
- Article
4
Canonical numerical methods for molecular dynamics simulations.
- Published in:
- Journal of Computational Chemistry, 1994, v. 15, n. 1, p. 72, doi. 10.1002/jcc.540150109
- By:
- Publication type:
- Article
5
General parameterization of a reaction field theory combined with the boundary element method.
- Published in:
- Journal of Computational Chemistry, 1994, v. 15, n. 1, p. 90, doi. 10.1002/jcc.540150111
- By:
- Publication type:
- Article
6
Display of the flow of energy in molecules.
- Published in:
- Journal of Computational Chemistry, 1994, v. 15, n. 1, p. 80, doi. 10.1002/jcc.540150110
- By:
- Publication type:
- Article
7
Simulations of the solution structure of HIV-1 protease in the presence and absence of bound zinc.
- Published in:
- Journal of Computational Chemistry, 1994, v. 15, n. 1, p. 61, doi. 10.1002/jcc.540150108
- By:
- Publication type:
- Article
8
Hydrating peptides using a sprouting technique.
- Published in:
- Journal of Computational Chemistry, 1994, v. 15, n. 1, p. 23, doi. 10.1002/jcc.540150104
- By:
- Publication type:
- Article
9
Comparison of NDDO and quasi- ab initio approaches to compute semiempirical molecular electrostatic potentials.
- Published in:
- Journal of Computational Chemistry, 1994, v. 15, n. 1, p. 12, doi. 10.1002/jcc.540150103
- By:
- Publication type:
- Article
10
Newton-Raphson optimization of the explicitly correlated Gaussian functions for calculations of the ground state of the helium atom.
- Published in:
- Journal of Computational Chemistry, 1994, v. 15, n. 1, p. 54, doi. 10.1002/jcc.540150107
- By:
- Publication type:
- Article
11
Updated Hessian matrix and the restricted step method for locating transition structures.
- Published in:
- Journal of Computational Chemistry, 1994, v. 15, n. 1, p. 1, doi. 10.1002/jcc.540150102
- By:
- Publication type:
- Article
12
Implementation of a data parallel, logical domain decomposition method for interparticle interactions in molecular dynamics of structured molecular fluids.
- Published in:
- Journal of Computational Chemistry, 1994, v. 15, n. 1, p. 44, doi. 10.1002/jcc.540150106
- By:
- Publication type:
- Article