Results: 17
Nucleoside free energy perturbation calculations: Mutation of purine-to-pyrimidine and pyrimidine-to-purine nucleosides.
- Published in:
- Journal of Computational Chemistry, 1992, v. 13, n. 5, p. 667, doi. 10.1002/jcc.540130517
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- Publication type:
- Article
Masthead.
- Published in:
- Journal of Computational Chemistry, 1992, v. 13, n. 5, p. fmi, doi. 10.1002/jcc.540130501
- Publication type:
- Article
Conformational dependence of electrostatic potential derived charges of a lipid headgroup: Glycerylphosphorylcholine.
- Published in:
- Journal of Computational Chemistry, 1992, v. 13, n. 5, p. 622, doi. 10.1002/jcc.540130512
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- Publication type:
- Article
Improvements to the distance geometry algorithm for conformational sampling of cyclic structures.
- Published in:
- Journal of Computational Chemistry, 1992, v. 13, n. 5, p. 565, doi. 10.1002/jcc.540130505
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- Publication type:
- Article
An ab initio and molecular mechanical investigation of ureas and amide derivatives.
- Published in:
- Journal of Computational Chemistry, 1992, v. 13, n. 5, p. 657, doi. 10.1002/jcc.540130516
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- Publication type:
- Article
Kramers' restricted hartree-fock method for polyatomic molecules using ab initio relativistic effective core potentials with spin-orbit operators.
- Published in:
- Journal of Computational Chemistry, 1992, v. 13, n. 5, p. 595, doi. 10.1002/jcc.540130509
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- Publication type:
- Article
Artificial redox enzymes. II. A computational chemistry study<sup>1</sup>.
- Published in:
- Journal of Computational Chemistry, 1992, v. 13, n. 5, p. 614, doi. 10.1002/jcc.540130511
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- Publication type:
- Article
Conformational analysis of 4 h-1,3,2-benzodioxaphosphorin 2-sulfides with ab initio molecular orbital calculations.
- Published in:
- Journal of Computational Chemistry, 1992, v. 13, n. 5, p. 560, doi. 10.1002/jcc.540130504
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- Publication type:
- Article
Polynomial path for the calculation of liquid state free energies from computer simulations tested on liquid water.
- Published in:
- Journal of Computational Chemistry, 1992, v. 13, n. 5, p. 651, doi. 10.1002/jcc.540130515
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- Publication type:
- Article
Alternative expressions for energies and forces due to angle bending and torsional energy.
- Published in:
- Journal of Computational Chemistry, 1992, v. 13, n. 5, p. 585, doi. 10.1002/jcc.540130508
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- Publication type:
- Article
Multicenter and multiparticle integrals for explicitly correlated cartesian gaussian-type functions.
- Published in:
- Journal of Computational Chemistry, 1992, v. 13, n. 5, p. 602, doi. 10.1002/jcc.540130510
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- Publication type:
- Article
Ab initio calculation of magnetic properties by the 'direct' IGLO method.
- Published in:
- Journal of Computational Chemistry, 1992, v. 13, n. 5, p. 551, doi. 10.1002/jcc.540130503
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- Publication type:
- Article
Structural studies of aromatic amines and the dna intercalating compounds m-amsa and o-amsa: Comparison of mndo, am1, and pm3 to experimental and ab initio results.
- Published in:
- Journal of Computational Chemistry, 1992, v. 13, n. 5, p. 640, doi. 10.1002/jcc.540130514
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- Publication type:
- Article
Powerful simulated-annealing algorithm locates global minimum of protein-folding potentials from multiple starting conformations.
- Published in:
- Journal of Computational Chemistry, 1992, v. 13, n. 5, p. 579, doi. 10.1002/jcc.540130507
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- Publication type:
- Article
Modeling a reaction path by molecular mechanics: Dimerization of carbon free radicals.
- Published in:
- Journal of Computational Chemistry, 1992, v. 13, n. 5, p. 541, doi. 10.1002/jcc.540130502
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- Publication type:
- Article
Pathways for ring inversion in 9, 10-dihydroanthracene, 9, 10-dihydrophenanthrene, and 7, 12-dihydropleiadene: Combined molecular orbital and molecular mechanics study.
- Published in:
- Journal of Computational Chemistry, 1992, v. 13, n. 5, p. 633, doi. 10.1002/jcc.540130513
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- Publication type:
- Article
Locally implicit solution of a reaction-diffusion system with stiff kinetics.
- Published in:
- Journal of Computational Chemistry, 1992, v. 13, n. 5, p. 570, doi. 10.1002/jcc.540130506
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- Publication type:
- Article