Calculating protein-ligand binding affinities with MMPBSA: Method and error analysis.
- Published in:
- Journal of Computational Chemistry, 2016, v. 37, n. 27, p. 2436, doi. 10.1002/jcc.24467
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- Publication type:
- Article
Works matching IS 01928651 AND DT 2016 AND VI 37 AND IP 27
Results: 8
1
2
Explicitly correlated frequency-independent second-order green's function for accurate ionization energies.
- Published in:
- Journal of Computational Chemistry, 2016, v. 37, n. 27, p. 2447, doi. 10.1002/jcc.24468
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- Publication type:
- Article
3
Description of excited states in [Re(Imidazole)(CO)<sub>3</sub>(Phen)]<sup>+</sup> including solvent and spin-orbit coupling effects: Density functional theory versus multiconfigurational wavefunction approach.
- Published in:
- Journal of Computational Chemistry, 2016, v. 37, n. 27, p. 2454, doi. 10.1002/jcc.24469
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- Publication type:
- Article
4
Reaction rates in a theory of mechanochemical pathways.
- Published in:
- Journal of Computational Chemistry, 2016, v. 37, n. 27, p. 2467, doi. 10.1002/jcc.24470
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- Publication type:
- Article
5
Cover Image, Volume 37, Issue 27.
- Published in:
- Journal of Computational Chemistry, 2016, v. 37, n. 27, p. i, doi. 10.1002/jcc.24490
- Publication type:
- Article
6
Issue Information.
- Published in:
- Journal of Computational Chemistry, 2016, v. 37, n. 27, p. 2403, doi. 10.1002/jcc.24173
- Publication type:
- Article
7
Incorporation of local structure into kriging models for the prediction of atomistic properties in the water decamer.
- Published in:
- Journal of Computational Chemistry, 2016, v. 37, n. 27, p. 2409, doi. 10.1002/jcc.24465
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- Publication type:
- Article
8
Adding energy minimization strategy to peptide-design algorithm enables better search for RNA-binding peptides: Redesigned λ N peptide binds boxB RNA.
- Published in:
- Journal of Computational Chemistry, 2016, v. 37, n. 27, p. 2423, doi. 10.1002/jcc.24466
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- Publication type:
- Article