Docking small ligands in flexible binding sites.
- Published in:
- Journal of Computational Chemistry, 1998, v. 19, n. 1, p. 21, doi. 10.1002/(SICI)1096-987X(19980115)19:1<21::AID-JCC2>3.0.CO;2-0
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- Article
Works matching IS 01928651 AND DT 1998 AND VI 19 AND IP 1
Results: 9
1
2
B-spline method for energy minimization in grid-based molecular mechanics calculations.
- Published in:
- Journal of Computational Chemistry, 1998, v. 19, n. 1, p. 71, doi. 10.1002/(SICI)1096-987X(19980115)19:1<71::AID-JCC6>3.0.CO;2-W
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- Article
3
Generation of crystal structures of acetic acid and its halogenated analogs.
- Published in:
- Journal of Computational Chemistry, 1998, v. 19, n. 1, p. 1, doi. 10.1002/(SICI)1096-987X(19980115)19:1<1::AID-JCC1>3.0.CO;2-T
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- Article
4
Conformational search using a molecular dynamics-minimization procedure: Applications to clusters of coulombic charges, Lennard-Jones particles, and waters.
- Published in:
- Journal of Computational Chemistry, 1998, v. 19, n. 1, p. 60, doi. 10.1002/(SICI)1096-987X(19980115)19:1<60::AID-JCC5>3.0.CO;2-X
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- Article
5
SHAKE, rattle, and roll: Efficient constraint algorithms for linked rigid bodies.
- Published in:
- Journal of Computational Chemistry, 1998, v. 19, n. 1, p. 102, doi. 10.1002/(SICI)1096-987X(19980115)19:1<102::AID-JCC9>3.0.CO;2-T
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- Article
6
Descriptors for amino acids using MolSurf parametrization.
- Published in:
- Journal of Computational Chemistry, 1998, v. 19, n. 1, p. 51, doi. 10.1002/(SICI)1096-987X(19980115)19:1<51::AID-JCC4>3.0.CO;2-Y
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- Article
7
Calculation of rovibrational energy levels of diatomic molecules by Dunham method with potential obtained from ab initio calculations.
- Published in:
- Journal of Computational Chemistry, 1998, v. 19, n. 1, p. 94, doi. 10.1002/(SICI)1096-987X(19980115)19:1<94::AID-JCC8>3.0.CO;2-U
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- Article
8
Quantum mechanical/molecular mechanical self-consistent Madelung potential method for treatment of polar molecular crystals.
- Published in:
- Journal of Computational Chemistry, 1998, v. 19, n. 1, p. 38, doi. 10.1002/(SICI)1096-987X(19980115)19:1<38::AID-JCC3>3.0.CO;2-#
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- Article
9
Molecular dynamics simulation of organic glass formers: I. ortho-terphenyl and 1,3,5-tri-α-naphthyl benzene.
- Published in:
- Journal of Computational Chemistry, 1998, v. 19, n. 1, p. 86, doi. 10.1002/(SICI)1096-987X(19980115)19:1<86::AID-JCC7>3.0.CO;2-V
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- Publication type:
- Article