Collaborating to improve the use of free-energy and other quantitative methods in drug discovery.
- Published in:
- Journal of Computer-Aided Molecular Design, 2016, v. 30, n. 12, p. 1139, doi. 10.1007/s10822-016-9996-y
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- Publication type:
- Article
Works matching IS 0920654X AND DT 2016 AND VI 30 AND IP 12
Results: 6
1
2
Combining molecular dynamics simulation and ligand-receptor contacts analysis as a new approach for pharmacophore modeling: beta-secretase 1 and check point kinase 1 as case studies.
- Published in:
- Journal of Computer-Aided Molecular Design, 2016, v. 30, n. 12, p. 1149, doi. 10.1007/s10822-016-9984-2
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- Publication type:
- Article
3
Identification of novel Trypanosoma cruzi prolyl oligopeptidase inhibitors by structure-based virtual screening.
- Published in:
- Journal of Computer-Aided Molecular Design, 2016, v. 30, n. 12, p. 1165, doi. 10.1007/s10822-016-9985-1
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- Publication type:
- Article
4
Compilation and physicochemical classification analysis of a diverse hERG inhibition database.
- Published in:
- Journal of Computer-Aided Molecular Design, 2016, v. 30, n. 12, p. 1175, doi. 10.1007/s10822-016-9986-0
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- Publication type:
- Article
5
Molecular mechanism of R-bicalutamide switching from androgen receptor antagonist to agonist induced by amino acid mutations using molecular dynamics simulations and free energy calculation.
- Published in:
- Journal of Computer-Aided Molecular Design, 2016, v. 30, n. 12, p. 1189, doi. 10.1007/s10822-016-9992-2
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- Publication type:
- Article
6
Blowing a breath of fresh share on data.
- Published in:
- Journal of Computer-Aided Molecular Design, 2016, v. 30, n. 12, p. 1143, doi. 10.1007/s10822-016-9995-z
- By:
- Publication type:
- Article