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dc.contributor | Barcelona Supercomputing Center |
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dc.contributor.author | Kotev, Martin |
dc.contributor.author | Soliva, Robert |
dc.contributor.author | Orozco, Modesto |
dc.date | 2016-10-15 |
dc.identifier.citation | Kotev, Martin; Soliva, Robert; Orozco, Modesto. Challenges of docking in large, flexible and promiscuous binding sites. "Bioorganic & Medicinal Chemistry", 15 Octubre 2016, vol. 24, núm. 20, p. 4961-4969. |
dc.identifier.citation | 0968-0896 |
dc.identifier.citation | 10.1016/j.bmc.2016.08.010 |
dc.identifier.uri | http://hdl.handle.net/2117/90906 |
dc.language.iso | eng |
dc.publisher | Elsevier |
dc.relation | http://www.sciencedirect.com/science/article/pii/S0968089616306022 |
dc.relation | info:eu-repo/grantAgreement/ES/1PE/BIO2015-64802-R |
dc.relation | info:eu-repo/grantAgreement/EC/H2020/675728/EU/Centre of Excellence for Biomolecular Research/BioExcel |
dc.rights | info:eu-repo/semantics/openAccess |
dc.subject | Àrees temàtiques de la UPC::Enginyeria biomèdica |
dc.subject | Protein binding |
dc.subject | Simulations |
dc.subject | Induced-fit docking |
dc.subject | PELE simulations |
dc.subject | Soluble Epoxide Hydrolase |
dc.subject | Benchmark |
dc.subject | Proteïnes--Investigació |
dc.subject | Simulació, Mètodes de |
dc.title | Challenges of docking in large, flexible and promiscuous binding sites |
dc.type | info:eu-repo/semantics/submittedVersion |
dc.type | info:eu-repo/semantics/article |
dc.description.abstract | |
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