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Volumn 819, Issue , 2012, Pages 143-155

Rosetta ligand docking with flexible XML protocols

Author keywords

Docking; Flexibility; Flexible; Interface; Ligand; Rosetta; RosettaLigand; Small molecule

Indexed keywords

LIGAND;

EID: 84855945133     PISSN: 10643745     EISSN: None     Source Type: Book Series    
DOI: 10.1007/978-1-61779-465-0_10     Document Type: Article
Times cited : (141)

References (9)
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    • DOI 10.1002/prot.21086
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    • Meiler, J.1    Baker, D.2
  • 2
    • 77950673061 scopus 로고    scopus 로고
    • Practically useful: What the Rosetta protein modeling suite can do for you
    • Kaufmann, K. W., Lemmon, G. H., Deluca, S. L., Sheehan, J. H., and Meiler, J. (2010) Practically useful: what the Rosetta protein modeling suite can do for you, Biochemistry 49, 2987-2998.
    • (2010) Biochemistry , vol.49 , pp. 2987-2998
    • Kaufmann, K.W.1    Lemmon, G.H.2    Deluca, S.L.3    Sheehan, J.H.4    Meiler, J.5
  • 4
    • 48449094112 scopus 로고    scopus 로고
    • Conformer selection and induced fit in flexible backbone protein-protein docking using computational and NMR ensembles
    • Chaudhury, S., and Gray, J. J. (2008) Conformer selection and induced fit in flexible backbone protein-protein docking using computational and NMR ensembles, J Mol Biol 381, 1068-1087.
    • (2008) J Mol Biol , vol.381 , pp. 1068-1087
    • Chaudhury, S.1    Gray, J.J.2
  • 6
    • 58149094776 scopus 로고    scopus 로고
    • RosettaLigand docking with full ligand and receptor flexibility
    • Davis, I. W., and Baker, D. (2009) RosettaLigand docking with full ligand and receptor flexibility, J Mol Biol 385, 381-392.
    • (2009) J Mol Biol , vol.385 , pp. 381-392
    • Davis, I.W.1    Baker, D.2
  • 7
    • 84871194822 scopus 로고    scopus 로고
    • Small molecule rotamers enable simultaneous optimization of small molecule and protein degrees of freedom in ROSETTALIGAND docking
    • (Beyer, A., and Schroeder, M., Eds.) Dresden
    • Kaufmann, K. W., Glab, K., Mueller, R., and Meiler, J. (2008) Small Molecule Rotamers Enable Simultaneous Optimization of Small Molecule and Protein Degrees of Freedom in ROSETTALIGAND Docking, In German Conference on Bioinformatics (Beyer, A., and Schroeder, M., Eds.), pp 148-157, Dresden.
    • (2008) German Conference on Bioinformatics , pp. 148-157
    • Kaufmann, K.W.1    Glab, K.2    Mueller, R.3    Meiler, J.4
  • 8
    • 69249127027 scopus 로고    scopus 로고
    • Blind docking of pharmaceutically relevant compounds using RosettaLigand
    • Davis, I. W., Raha, K., Head, M. S., and Baker, D. (2009) Blind docking of pharmaceutically relevant compounds using RosettaLigand, Protein Sci 18, 1998-2002.
    • (2009) Protein Sci , vol.18 , pp. 1998-2002
    • Davis, I.W.1    Raha, K.2    Head, M.S.3    Baker, D.4
  • 9
    • 59849093622 scopus 로고    scopus 로고
    • Structural determinants of species-selective substrate recognition in human and Drosophila serotonin transporters revealed through computational docking studies
    • Kaufmann, K. W., Dawson, E. S., Henry, L. K., Field, J. R., Blakely, R. D., and Meiler, J. (2009) Structural determinants of species-selective substrate recognition in human and Drosophila serotonin transporters revealed through computational docking studies, Proteins 74, 630-642.
    • (2009) Proteins , vol.74 , pp. 630-642
    • Kaufmann, K.W.1    Dawson, E.S.2    Henry, L.K.3    Field, J.R.4    Blakely, R.D.5    Meiler, J.6


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.