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dc.contributor.author | Nicolini, Paolo |
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dc.contributor.author | Frezzato, Diego |
dc.contributor.author | Gellini, Cristina |
dc.contributor.author | Bizzarri, Marco |
dc.contributor.author | Chelli, Riccardo |
dc.date | 2013-07 |
dc.identifier.citation | Nicolini, P. [et al.]. Toward quantitative estimates of binding affinities for protein-ligand systems involving large inhibitor compounds: A steered molecular dynamics simulation route. "Journal of computational chemistry", Juliol 2013, vol. 34, núm. 8, p. 1561-1576. |
dc.identifier.citation | 0192-8651 |
dc.identifier.citation | 10.1002/jcc.23286 |
dc.identifier.uri | http://hdl.handle.net/2117/19998 |
dc.language.iso | eng |
dc.relation | http://onlinelibrary.wiley.com/doi/10.1002/jcc.23286/abstract;jsessionid=A03A2970BEA21123571F02B6ED66E329.d04t03 |
dc.rights | info:eu-repo/semantics/openAccess |
dc.subject | Àrees temàtiques de la UPC::Informàtica::Aplicacions de la informàtica::Bioinformàtica |
dc.subject | Computational chemistry |
dc.subject | binding free energy |
dc.subject | protein–ligand complexes |
dc.subject | steered molecular dynamics simulations |
dc.subject | focal adhesion kinase |
dc.subject | Química computacional |
dc.title | Toward quantitative estimates of binding affinities for protein-ligand systems involving large inhibitor compounds: A steered molecular dynamics simulation route |
dc.type | info:eu-repo/semantics/publishedVersion |
dc.type | info:eu-repo/semantics/article |
dc.description.abstract | |
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