Works matching IS 0920-654X AND VI 33 AND IP 10 AND DT 2019
Results: 5
The role of hydration effects in 5-fluorouridine binding to SOD1: insight from a new 3D-RISM-KH based protocol for including structural water in docking simulations.
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- Journal of Computer-Aided Molecular Design, 2019, v. 33, n. 10, p. 913, doi. 10.1007/s10822-019-00239-3
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- Article
Application of the 3D-RISM-KH molecular solvation theory for DMSO as solvent.
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- Journal of Computer-Aided Molecular Design, 2019, v. 33, n. 10, p. 905, doi. 10.1007/s10822-019-00238-4
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- Article
Electrostatic-field and surface-shape similarity for virtual screening and pose prediction.
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- Journal of Computer-Aided Molecular Design, 2019, v. 33, n. 10, p. 865, doi. 10.1007/s10822-019-00236-6
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- Article
Computational methods and tools for binding site recognition between proteins and small molecules: from classical geometrical approaches to modern machine learning strategies.
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- Journal of Computer-Aided Molecular Design, 2019, v. 33, n. 10, p. 887, doi. 10.1007/s10822-019-00235-7
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- Article
A computational study of the molecular basis of antibiotic resistance in a DXR mutant.
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- Journal of Computer-Aided Molecular Design, 2019, v. 33, n. 10, p. 927, doi. 10.1007/s10822-019-00229-5
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- Article