Found: 12
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Pose prediction and virtual screening performance of GOLD scoring functions in a standardized test.
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- Journal of Computer-Aided Molecular Design, 2012, v. 26, n. 6, p. 737, doi. 10.1007/s10822-012-9551-4
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- Article
Development and validation of an improved algorithm for overlaying flexible molecules.
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- Journal of Computer-Aided Molecular Design, 2012, v. 26, n. 4, p. 451, doi. 10.1007/s10822-012-9573-y
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- Article
Are predefined decoy sets of ligand poses able to quantify scoring function accuracy?
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- Journal of Computer-Aided Molecular Design, 2012, v. 26, n. 2, p. 185, doi. 10.1007/s10822-011-9539-5
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- Article
How to pick a winning team: approaches towards the selection of computationally derived protein structures for ensemble-based virtual screening.
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- Journal of Cheminformatics, 2013, v. 5, n. S1, p. 1, doi. 10.1186/1758-2946-5-S1-O7
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- Article
Guiding protein-ligand docking with different experimental NMR-data.
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- 2012
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- Abstract
Molecular dynamics simulations and docking of non-nucleoside reverse transcriptase inhibitors (NNRTIs): a possible approach to personalized HIV treatment.
- Published in:
- 2012
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- Abstract
The assessment of computationally derived protein ensembles in protein-ligand docking.
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- 2012
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- Abstract
Ensemble docking revisited.
- Published in:
- 2010
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- Abstract
pharmACOphore: multiple flexible ligand alignment based on ant colony optimization.
- Published in:
- 2010
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- Abstract
Discovery of Schaeffer's Acid Analogues as Lead Structures of Mycobacterium tuberculosis Type II Dehydroquinase Using a Rational Drug Design Approach.
- Published in:
- ChemMedChem, 2013, v. 8, n. 1, p. 54, doi. 10.1002/cmdc.201200508
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- Article
Improved performance of crystal structure solution from powder diffraction data through parameter tuning of a simulated annealing algorithm.
- Published in:
- Journal of Applied Crystallography, 2017, v. 50, n. 5, p. 1411, doi. 10.1107/S1600576717012602
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- Article
Improved crystal structure solution from powder diffraction data by the use of conformational information.
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- Journal of Applied Crystallography, 2017, v. 50, n. 5, p. 1421, doi. 10.1107/S1600576717012596
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- Article