Theoretical modeling of the heme group with a hybrid QM/MM method.
- Published in:
- Journal of Computational Chemistry, 2000, v. 21, n. 4, p. 282, doi. 10.1002/(SICI)1096-987X(200003)21:4<282::AID-JCC4>3.0.CO;2-L
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Works matching IS 01928651 AND DT 2000 AND VI 21 AND IP 4
Results: 7
1
2
Comparison of generalized born and poisson models: Energetics and dynamics of HIV protease.
- Published in:
- Journal of Computational Chemistry, 2000, v. 21, n. 4, p. 295, doi. 10.1002/(SICI)1096-987X(200003)21:4<295::AID-JCC5>3.0.CO;2-8
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- Article
3
Stabilization in neutral bicyclic sulfoxide compounds.
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- Journal of Computational Chemistry, 2000, v. 21, n. 4, p. 322, doi. 10.1002/(SICI)1096-987X(200003)21:4<322::AID-JCC7>3.0.CO;2-F
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- Article
4
A radial probability density function for analysis of canonical molecular orbitals.
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- Journal of Computational Chemistry, 2000, v. 21, n. 4, p. 310, doi. 10.1002/(SICI)1096-987X(200003)21:4<310::AID-JCC6>3.0.CO;2-P
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- Article
5
Gibbs energy minimization in gas + liquid + solid systems.
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- Journal of Computational Chemistry, 2000, v. 21, n. 4, p. 247, doi. 10.1002/(SICI)1096-987X(200003)21:4<247::AID-JCC1>3.0.CO;2-J
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- Article
6
Circular dichroic constrained structure optimization of homoalanine peptides.
- Published in:
- Journal of Computational Chemistry, 2000, v. 21, n. 4, p. 270, doi. 10.1002/(SICI)1096-987X(200003)21:4<270::AID-JCC3>3.0.CO;2-V
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- Article
7
Theoretical characterization of intramolecular proton transfer in the ground and the lowest-lying triplet excited states of 1-amino-3-propenal: a methodological comparison.
- Published in:
- Journal of Computational Chemistry, 2000, v. 21, n. 4, p. 257, doi. 10.1002/(SICI)1096-987X(200003)21:4<257::AID-JCC2>3.0.CO;2-F
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- Publication type:
- Article