Ligand docking and binding site analysis with PyMOL and Autodock/Vina (English)
Free access
- New search for: Seeliger, Daniel
- New search for: Groot, Bert L.
- New search for: Seeliger, Daniel
- New search for: Groot, Bert L.
In:
Journal of Computer-Aided Molecular Design
;
24
, 5
;
417-422
;
2010
- Article (Journal) / Electronic Resource
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Title:Ligand docking and binding site analysis with PyMOL and Autodock/Vina
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Contributors:Seeliger, Daniel ( author ) / Groot, Bert L. ( author )
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Published in:Journal of Computer-Aided Molecular Design ; 24, 5 ; 417-422
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Publisher:
- New search for: Springer Netherlands
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Place of publication:Dordrecht
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Publication date:2010-04-17
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Size:6 pages
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ISSN:
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DOI:
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Type of media:Article (Journal)
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Type of material:Electronic Resource
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Language:English
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Keywords:
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Source:
Table of contents – Volume 24, Issue 5
The tables of contents are generated automatically and are based on the data records of the individual contributions available in the index of the TIB portal. The display of the Tables of Contents may therefore be incomplete.
- 385
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QM/MM based 3D QSAR models for potent B-Raf inhibitorsChung, Jae Yoon / Chung, Hwan Won / Cho, Seung Joo / Hah, Jung-Mi / Cho, Art E. et al. | 2010
- 399
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Site of metabolism prediction on cytochrome P450 2C9: a knowledge-based docking approachTarcsay, Ákos / Kiss, Róbert / Keserű, György M. et al. | 2010
- 409
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The effect of $ CH_{3} $, F and $ NO_{2} $ substituents on the individual hydrogen bond energies in the adenine–thymine and guanine–cytosine base pairsEbrahimi, A. / Habibi Khorassani, S. M. / Delarami, H. / Esmaeeli, H. et al. | 2010
- 417
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Ligand docking and binding site analysis with PyMOL and Autodock/VinaSeeliger, Daniel / de Groot, Bert L. et al. | 2010
- 423
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Computational studies on the interaction of ABO-active saccharides with the norovirus VA387 capsid protein can explain experimental binding dataKoppisetty, Chaitanya A. K. / Nasir, Waqas / Strino, Francesco / Rydell, Gustaf E. / Larson, Göran / Nyholm, Per-Georg et al. | 2010
- 433
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Chemical space sampling by different scoring functions and crystal structuresBrooijmans, Natasja / Humblet, Christine et al. | 2010
- 449
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Successful identification of key chemical structure modifications that lead to improved ADME profilesCucurull-Sanchez, Lourdes et al. | 2010
- 459
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Improved docking, screening and selectivity prediction for small molecule nuclear receptor modulators using conformational ensemblesPark, So-Jung / Kufareva, Irina / Abagyan, Ruben et al. | 2010