Works matching IS 0920-654X AND VI 31 AND IP 10 AND DT 2017
Results: 7
Convex-PL: a novel knowledge-based potential for protein-ligand interactions deduced from structural databases using convex optimization.
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- Journal of Computer-Aided Molecular Design, 2017, v. 31, n. 10, p. 943, doi. 10.1007/s10822-017-0068-8
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- Article
Structural rationale for the cross-resistance of tumor cells bearing the A399V variant of elongation factor eEF1A1 to the structurally unrelated didemnin B, ternatin, nannocystin A and ansatrienin B.
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- Journal of Computer-Aided Molecular Design, 2017, v. 31, n. 10, p. 915, doi. 10.1007/s10822-017-0066-x
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- Article
Computational design of bio-inspired carnosine-based HOBr antioxidants.
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- Journal of Computer-Aided Molecular Design, 2017, v. 31, n. 10, p. 905, doi. 10.1007/s10822-017-0060-3
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- Article
Discovery of non-peptidic small molecule inhibitors of cyclophilin D as neuroprotective agents in Aβ-induced mitochondrial dysfunction.
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- Journal of Computer-Aided Molecular Design, 2017, v. 31, n. 10, p. 929, doi. 10.1007/s10822-017-0067-9
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- Article
Co-operative intra-protein structural response due to protein-protein complexation revealed through thermodynamic quantification: study of MDM2-p53 binding.
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- Journal of Computer-Aided Molecular Design, 2017, v. 31, n. 10, p. 891, doi. 10.1007/s10822-017-0057-y
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- Article
Solvation free energies and partition coefficients with the coarse-grained and hybrid all-atom/coarse-grained MARTINI models.
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- Journal of Computer-Aided Molecular Design, 2017, v. 31, n. 10, p. 867, doi. 10.1007/s10822-017-0059-9
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- Article
In silico probing and biological evaluation of SETDB1/ESET-targeted novel compounds that reduce tri-methylated histone H3K9 (H3K9me3) level.
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- Journal of Computer-Aided Molecular Design, 2017, v. 31, n. 10, p. 877, doi. 10.1007/s10822-017-0052-3
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- Article