Works in Journal of Computer-Aided Molecular Design, 2016, Vol 30, Issue 3
Results: 7
Incorporating specificity into optimization: evaluation of SPA using CSAR 2014 and CASF 2013 benchmarks.
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- Journal of Computer-Aided Molecular Design, 2016, v. 30, n. 3, p. 219, doi. 10.1007/s10822-016-9897-0
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- Article
A k-nearest neighbor classification of hERG K channel blockers.
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- Journal of Computer-Aided Molecular Design, 2016, v. 30, n. 3, p. 229, doi. 10.1007/s10822-016-9898-z
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- Article
1001 Ways to run AutoDock Vina for virtual screening.
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- Journal of Computer-Aided Molecular Design, 2016, v. 30, n. 3, p. 237, doi. 10.1007/s10822-016-9900-9
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Conformational flexibility of DENV NS2B/NS3pro: from the inhibitor effect to the serotype influence.
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- Journal of Computer-Aided Molecular Design, 2016, v. 30, n. 3, p. 251, doi. 10.1007/s10822-016-9901-8
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Pep-Calc.com: a set of web utilities for the calculation of peptide and peptoid properties and automatic mass spectral peak assignment.
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- Journal of Computer-Aided Molecular Design, 2016, v. 30, n. 3, p. 271, doi. 10.1007/s10822-016-9902-7
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- Article
Lessons learned from the design of chemical space networks and opportunities for new applications.
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- Journal of Computer-Aided Molecular Design, 2016, v. 30, n. 3, p. 191, doi. 10.1007/s10822-016-9906-3
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- Article
Autocorrelation descriptor improvements for QSAR: 2DA_Sign and 3DA_Sign.
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- Journal of Computer-Aided Molecular Design, 2016, v. 30, n. 3, p. 209, doi. 10.1007/s10822-015-9893-9
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- Article