The MM3 force field for amides, polypeptides and proteins.
- Published in:
- Journal of Computational Chemistry, 1991, v. 12, n. 2, p. 186, doi. 10.1002/jcc.540120208
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- Publication type:
- Article
Works matching IS 01928651 AND DT 1991 AND VI 12 AND IP 2
Results: 19
1
2
Comparison of semiempirical MO methods applied to large molecules.
- Published in:
- Journal of Computational Chemistry, 1991, v. 12, n. 2, p. 172, doi. 10.1002/jcc.540120205
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- Publication type:
- Article
3
Masthead.
- Published in:
- Journal of Computational Chemistry, 1991, v. 12, n. 2, p. fmi, doi. 10.1002/jcc.540120201
- Publication type:
- Article
4
On the determination of the minimum on the crossing seam of two potential energy surfaces.
- Published in:
- Journal of Computational Chemistry, 1991, v. 12, n. 2, p. 276, doi. 10.1002/jcc.540120219
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- Publication type:
- Article
5
A general approach for atom-type assignment and the interconversion of molecular structure files.
- Published in:
- Journal of Computational Chemistry, 1991, v. 12, n. 2, p. 209, doi. 10.1002/jcc.540120210
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- Publication type:
- Article
6
A complete shape characterization for molecular charge densities represented by Gaussian-type functions.
- Published in:
- Journal of Computational Chemistry, 1991, v. 12, n. 2, p. 220, doi. 10.1002/jcc.540120212
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- Publication type:
- Article
7
Minimization and molecular dynamics studies of guanosine and Z-DNA modified by N-2-acetylaminofluorene.
- Published in:
- Journal of Computational Chemistry, 1991, v. 12, n. 2, p. 147, doi. 10.1002/jcc.540120203
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- Publication type:
- Article
8
On a proposed radiation-induced polaronic hole in silicon dioxide.
- Published in:
- Journal of Computational Chemistry, 1991, v. 12, n. 2, p. 254, doi. 10.1002/jcc.540120216
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- Publication type:
- Article
9
A comparison of conformational energies calculated by molecular mechanics (MM2(85), Sybyl 5.1, Sybyl 5.21, and ChemX) and semiempirical (AM1 and PM3) methods.
- Published in:
- Journal of Computational Chemistry, 1991, v. 12, n. 2, p. 200, doi. 10.1002/jcc.540120209
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- Publication type:
- Article
10
Two-electron integral evaluation for uncontracted geometrical-type Gaussian functions.
- Published in:
- Journal of Computational Chemistry, 1991, v. 12, n. 2, p. 215, doi. 10.1002/jcc.540120211
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- Publication type:
- Article
11
Geometry optimization in semiempirical SCF-MO-CI calculations.
- Published in:
- Journal of Computational Chemistry, 1991, v. 12, n. 2, p. 167, doi. 10.1002/jcc.540120204
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- Publication type:
- Article
12
Comments on the characteristic polynomial of a graph.
- Published in:
- Journal of Computational Chemistry, 1991, v. 12, n. 2, p. 248, doi. 10.1002/jcc.540120215
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- Publication type:
- Article
13
Molecular silverware. I. General solutions to excluded volume constrained problems.
- Published in:
- Journal of Computational Chemistry, 1991, v. 12, n. 2, p. 237, doi. 10.1002/jcc.540120214
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- Publication type:
- Article
14
Structural effects of fluorine substitution in proteins.
- Published in:
- Journal of Computational Chemistry, 1991, v. 12, n. 2, p. 180, doi. 10.1002/jcc.540120207
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- Publication type:
- Article
15
Free energy difference calculations by thermodynamic integration: Difficulties in obtaining a precise value.
- Published in:
- Journal of Computational Chemistry, 1991, v. 12, n. 2, p. 271, doi. 10.1002/jcc.540120218
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- Publication type:
- Article
16
Exo-exo and endo-endo vicinal proton spin-spin coupling constants in norbornane and norbornene. An IPPP-CLOPPA analysis.
- Published in:
- Journal of Computational Chemistry, 1991, v. 12, n. 2, p. 141, doi. 10.1002/jcc.540120202
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- Publication type:
- Article
17
Towards the truly nonempirical computation of hyperfine interactions: A contribution to the debate on the t-butyl radical.
- Published in:
- Journal of Computational Chemistry, 1991, v. 12, n. 2, p. 231, doi. 10.1002/jcc.540120213
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- Publication type:
- Article
18
Macromolecular dynamics on a shared-memory multiprocessor.
- Published in:
- Journal of Computational Chemistry, 1991, v. 12, n. 2, p. 175, doi. 10.1002/jcc.540120206
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- Publication type:
- Article
19
A simple approximation for the vibrational partition function of a hindered internal rotation.
- Published in:
- Journal of Computational Chemistry, 1991, v. 12, n. 2, p. 266, doi. 10.1002/jcc.540120217
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- Publication type:
- Article