The backbone of our chemical computations.
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- Journal of Computer-Aided Molecular Design, 2019, v. 33, n. 2, p. 129, doi. 10.1007/s10822-019-00192-1
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- Article
Works matching IS 0920654X AND DT 2019 AND VI 33 AND IP 2
Results: 6
1
2
First virtual screening and experimental validation of inhibitors targeting GES-5 carbapenemase.
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- Journal of Computer-Aided Molecular Design, 2019, v. 33, n. 2, p. 295, doi. 10.1007/s10822-018-0182-2
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- Article
3
Active learning strategies with COMBINE analysis: new tricks for an old dog.
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- Journal of Computer-Aided Molecular Design, 2019, v. 33, n. 2, p. 287, doi. 10.1007/s10822-018-0181-3
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- Article
4
Structural characterization and molecular dynamics simulations of the caprine and bovine solute carrier family 11 A1 (SLC11A1).
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- Journal of Computer-Aided Molecular Design, 2019, v. 33, n. 2, p. 265, doi. 10.1007/s10822-018-0179-x
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- Article
5
Force field development phase II: Relaxation of physics-based criteria... or inclusion of more rigorous physics into the representation of molecular energetics.
- Published in:
- Journal of Computer-Aided Molecular Design, 2019, v. 33, n. 2, p. 205, doi. 10.1007/s10822-018-0134-x
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- Article
6
Biomolecular force fields: where have we been, where are we now, where do we need to go and how do we get there?
- Published in:
- Journal of Computer-Aided Molecular Design, 2019, v. 33, n. 2, p. 133, doi. 10.1007/s10822-018-0111-4
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- Article