Turbo prediction: a new approach for bioactivity prediction.
- Published in:
- Journal of Computer-Aided Molecular Design, 2022, v. 36, n. 1, p. 77, doi. 10.1007/s10822-021-00440-3
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- Publication type:
- Article
Works matching IS 0920654X AND DT 2022 AND VI 36 AND IP 1
Results: 6
1
2
Binding free energies for the SAMPL8 CB8 "Drugs of Abuse" challenge from umbrella sampling combined with Hamiltonian replica exchange.
- Published in:
- Journal of Computer-Aided Molecular Design, 2022, v. 36, n. 1, p. 1, doi. 10.1007/s10822-021-00439-w
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- Article
3
Application of the alchemical transfer and potential of mean force methods to the SAMPL8 host-guest blinded challenge.
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- Journal of Computer-Aided Molecular Design, 2022, v. 36, n. 1, p. 63, doi. 10.1007/s10822-021-00437-y
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- Article
4
Exploiting activity cliffs for building pharmacophore models and comparison with other pharmacophore generation methods: sphingosine kinase 1 as case study.
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- Journal of Computer-Aided Molecular Design, 2022, v. 36, n. 1, p. 39, doi. 10.1007/s10822-021-00435-0
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- Article
5
Binding site identification of G protein-coupled receptors through a 3D Zernike polynomials-based method: application to C. elegans olfactory receptors.
- Published in:
- Journal of Computer-Aided Molecular Design, 2022, v. 36, n. 1, p. 11, doi. 10.1007/s10822-021-00434-1
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- Article
6
Target identification for repurposed drugs active against SARS-CoV-2 via high-throughput inverse docking.
- Published in:
- Journal of Computer-Aided Molecular Design, 2022, v. 36, n. 1, p. 25, doi. 10.1007/s10822-021-00432-3
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- Publication type:
- Article