The DOI matches its Crossref record; 2 of the 2 references it cites were found in a registry or an index.
Ligand docking and binding site analysis with PyMOL and Autodock/Vina
Open accessAbstract
Docking of small molecule compounds into the binding site of a receptor and estimating the binding affinity of the complex is an important part of the structure-based drug design process. For a thorough understanding of the structural principles that determine the strength of a protein/ligand complex both, an accurate and fast docking protocol and the ability to visualize binding geometries and interactions are mandatory. Here we present an interface between the popular molecular graphics system PyMOL and the molecular docking suites Autodock and Vina and demonstrate how the combination of docking and visualization can aid structure-based drug design efforts.
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Trott, O., & Olson, A. J. (2010) · Journal of Computational Chemistry · doi:10.1002/jcc.21334 · Cited by 38,412
A semiempirical free energy force field with charge‐based desolvation
Huey, R., Morris, G. M., Olson, A. J., & Goodsell, D. S. (2007) · Journal of Computational Chemistry · doi:10.1002/jcc.20634 · Cited by 2,246
Cited by
Chen, Y.-C. (2015) · Trends in Pharmacological Sciences · doi:10.1016/j.tips.2014.12.001 · Cited by 611
Kang, X.-L., Zhang, J.-Y., Wang, D., Zhao, Y.-M., Han, X.-L., Wang, J.-X., & Zhao, X.-F. (2019) · PLOS Genetics · doi:10.1371/journal.pgen.1008331 · Cited by 96
Regulation of hypoxia-inducible factor functions in the nucleus by sphingosine-1-phosphate
Hait, N. C., Maiti, A., Xu, P., Qi, Q., Kawaguchi, T., Okano, M., Takabe, K., Yan, L., & Luo, C. (2020) · The FASEB Journal · doi:10.1096/fj.201901734rr · Cited by 41
Tan, J., Zhang, J., Chen, W., Sun, Y., Wan, Z., Li, R., & Liu, W. (2015) · Mycopathologia · doi:10.1007/s11046-014-9831-8 · Cited by 36
Khadke, S. K., Lee, J.-H., Kim, Y.-G., Raj, V., & Lee, J. (2021) · Biomedicines · doi:10.3390/biomedicines9091133 · Cited by 33
Metadata
- Authors
- Seeliger, D., & de Groot, B. L.
- Venue
- Journal of Computer-Aided Molecular Design
- Published
- 2010-04-17
- Volume
- 24
- Issue
- 5
- Pages
- 417-422
- ISSN
- 0920-654X (ISSN-L)
- 1573-4951
- OpenAlex
- W2160310346
- Cited by
- 2,623
- References
- 2
- FWCI
- 34.97
- Type
- journal article
- Language
- en
- Open access
- hybrid
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