Masthead.
- Published in:
- Journal of Computational Chemistry, 1996, v. 17, n. 14, p. fmi, doi. 10.1002/jcc.540171401
- Publication type:
- Article
Works matching IS 01928651 AND DT 1996 AND VI 17 AND IP 14
Results: 9
1
2
Investigation of interaction in C<sub>60</sub> embedded complexes (X@C<sub>60</sub>) (X = alkali or halogen) at a series of radial positions by Buckingham potential function.
- Published in:
- Journal of Computational Chemistry, 1996, v. 17, n. 14, p. 1624, doi. 10.1002/(SICI)1096-987X(19961115)17:14<1624::AID-JCC4>3.0.CO;2-N
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- Publication type:
- Article
3
A new method for side-chain conformation prediction using a Hopfield network and reproduced rotamers.
- Published in:
- Journal of Computational Chemistry, 1996, v. 17, n. 14, p. 1667, doi. 10.1002/(SICI)1096-987X(19961115)17:14<1667::AID-JCC8>3.0.CO;2-J
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- Publication type:
- Article
4
Improved algorithm for accurate computation of molecular solid angles.
- Published in:
- Journal of Computational Chemistry, 1996, v. 17, n. 14, p. 1612, doi. 10.1002/(SICI)1096-987X(19961115)17:14<1612::AID-JCC3>3.0.CO;2-O
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- Publication type:
- Article
5
A fast method of molecular shape comparison: A simple application of a Gaussian description of molecular shape.
- Published in:
- Journal of Computational Chemistry, 1996, v. 17, n. 14, p. 1653, doi. 10.1002/(SICI)1096-987X(19961115)17:14<1653::AID-JCC7>3.0.CO;2-K
- By:
- Publication type:
- Article
6
Solvent effects in active-site molecular dynamics simulations on the binding of 8-methyl-N5-deazapterin and 8-methylpterin to dihydrofolate reductase.
- Published in:
- Journal of Computational Chemistry, 1996, v. 17, n. 14, p. 1598, doi. 10.1002/(SICI)1096-987X(19961115)17:14<1598::AID-JCC2>3.0.CO;2-G
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- Publication type:
- Article
7
New vibrational self-consistent field program for large molecules.
- Published in:
- Journal of Computational Chemistry, 1996, v. 17, n. 14, p. 1645, doi. 10.1002/(SICI)1096-987X(19961115)17:14<1645::AID-JCC6>3.0.CO;2-L
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- Publication type:
- Article
8
Calculation of absolute binding free energies for charged ligands and effects of long-range electrostatic interactions.
- Published in:
- Journal of Computational Chemistry, 1996, v. 17, n. 14, p. 1587, doi. 10.1002/(SICI)1096-987X(19961115)17:14<1587::AID-JCC1>3.0.CO;2-H
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- Publication type:
- Article
9
Computing ionization states of proteins with a detailed charge model.
- Published in:
- Journal of Computational Chemistry, 1996, v. 17, n. 14, p. 1633, doi. 10.1002/(SICI)1096-987X(19961115)17:14<1633::AID-JCC5>3.0.CO;2-M
- By:
- Publication type:
- Article