Sequence specificity in DNA–drug intercalation: MD simulation and density functional theory approaches.
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- Journal of Computer-Aided Molecular Design, 2020, v. 34, n. 1, p. 83, doi. 10.1007/s10822-019-00268-y
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- Article
Works matching IS 0920654X AND DT 2020 AND VI 34 AND IP 1
Results: 7
1
2
Data structures for computational compound promiscuity analysis and exemplary applications to inhibitors of the human kinome.
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- Journal of Computer-Aided Molecular Design, 2020, v. 34, n. 1, p. 1, doi. 10.1007/s10822-019-00266-0
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- Article
3
Applicability of a thermodynamic cycle approach for a force field parametrization targeting non-aqueous solvation free energies.
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- Journal of Computer-Aided Molecular Design, 2020, v. 34, n. 1, p. 71, doi. 10.1007/s10822-019-00261-5
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- Article
4
Simulation of MDM2 N-terminal domain conformational lability in the presence of imidazoline based inhibitors of MDM2-p53 protein–protein interaction.
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- Journal of Computer-Aided Molecular Design, 2020, v. 34, n. 1, p. 55, doi. 10.1007/s10822-019-00260-6
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- Article
5
Computational design, synthesis and evaluation of new sulphonamide derivatives targeting HIV-1 gp120.
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- Journal of Computer-Aided Molecular Design, 2020, v. 34, n. 1, p. 39, doi. 10.1007/s10822-019-00258-0
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- Article
6
Source of oseltamivir resistance due to single E119D and double E119D/H274Y mutations in pdm09H1N1 influenza neuraminidase.
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- Journal of Computer-Aided Molecular Design, 2020, v. 34, n. 1, p. 27, doi. 10.1007/s10822-019-00251-7
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- Article
7
Inhibitor discovery for the E. coli meningitis virulence factor IbeA from homology modeling and virtual screening.
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- Journal of Computer-Aided Molecular Design, 2020, v. 34, n. 1, p. 11, doi. 10.1007/s10822-019-00250-8
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- Article