Protein and ligand preparation: parameters, protocols, and influence on virtual screening enrichments
Citations
964 citations
Cites methods from "Protein and ligand preparation: par..."
...Most of the common simulation software packages include some software for system preparation, and a number of recently introduced or improved software packages simplify the preparation process (Betz, 2017; Jo et al., 2008; Sastry et al., 2013)....
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896 citations
597 citations
Cites background from "Protein and ligand preparation: par..."
...The importance of protein preparation in docking performance has been recently reported [11]....
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...have explored each of the steps involved in preparing a system for VS [11]....
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...To efficiently address the above-mentioned structural issues, several protein preparation schemes have been proposed [5, 11, 12]....
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582 citations
545 citations
Cites background from "Protein and ligand preparation: par..."
...Additional details can be found in SI Appendix (62, 63)....
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References
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