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Volumn 9, Issue SUPPL. 1, 2011, Pages 1-14

CScore:A simple yet effective scoring function for protein ligand binding affinity prediction using modified cmac learning architecture

Author keywords

Cerebellar Model Articulation Controller; machine learning; Protein ligand docking; scoring function

Indexed keywords

LIGAND; PROTEIN;

EID: 82355181271     PISSN: 02197200     EISSN: None     Source Type: Journal    
DOI: 10.1142/S021972001100577X     Document Type: Article
Times cited : (41)

References (23)
  • 1
    • 8844263008 scopus 로고    scopus 로고
    • Docking and scoring in virtual screening for drug discovery: Methods and applications
    • DOI 10.1038/nrd1549
    • Kitchen D et al., Docking and scoring in virtual screening for drug discovery: Methodsand applications, Nat Rev Drug Discov 3(11):935-949, 2004. (Pubitemid 39529931)
    • (2004) Nature Reviews Drug Discovery , vol.3 , Issue.11 , pp. 935-949
    • Kitchen, D.B.1    Decornez, H.2    Furr, J.R.3    Bajorath, J.4
  • 4
    • 70349932423 scopus 로고    scopus 로고
    • AutoDock4 and AutoDockTools4: Automated docking with selectivereceptor flexibility
    • Morris GM et al., AutoDock4 and AutoDockTools4: Automated docking with selectivereceptor flexibility, J Comput Chem 30(16):2785-2791, 2009.
    • (2009) J Comput Chem , vol.30 , Issue.16 , pp. 2785-2791
    • Morris, G.M.1
  • 6
    • 40349087133 scopus 로고    scopus 로고
    • Towards the development of universal, fast and highly accurate docking/scoring methods: A long way to go
    • DOI 10.1038/sj.bjp.0707515, PII 0707515
    • Moitessier N et al., Towards the development of universal, fast and highly accuratedocking/scoring methods: A long way to go, Brit J Pharmacol 153(S1):S7-S26, 2008. (Pubitemid 351340987)
    • (2008) British Journal of Pharmacology , vol.153 , Issue.SUPPL. 1
    • Moitessier, N.1    Englebienne, P.2    Lee, D.3    Lawandi, J.4    Corbeil, C.R.5
  • 7
    • 1642540577 scopus 로고    scopus 로고
    • Evaluation of docking performance: Comparative data on dockingalgorithms
    • DOI 10.1021/jm0302997
    • Kontoyianni M et al., Evaluation of docking performance: Comparative data on dockingalgorithms, J Med Chem 47(3):558-565, 2004. (Pubitemid 38129714)
    • (2004) Journal of Medicinal Chemistry , vol.47 , Issue.3 , pp. 558-565
    • Kontoyianni, M.1    McClellan, L.M.2    Sokol, G.S.3
  • 8
    • 0030599010 scopus 로고    scopus 로고
    • A fast flexible docking method using an incremental construction algorithm
    • DOI 10.1006/jmbi.1996.0477
    • Rarey M et al., A fast flexible docking method using an incremental constructionalgorithm, J Mol Biol 261(3):470-489, 1996. (Pubitemid 26335901)
    • (1996) Journal of Molecular Biology , vol.261 , Issue.3 , pp. 470-489
    • Rarey, M.1    Kramer, B.2    Lengauer, T.3    Klebe, G.4
  • 10
    • 66149103553 scopus 로고    scopus 로고
    • Comparative assessment of scoring functions on a diverse test set
    • Cheng T et al., Comparative assessment of scoring functions on a diverse test set,J Chem Inf Model 49(4):1079-1093, 2009.
    • (2009) J Chem Inf Model , vol.49 , Issue.4 , pp. 1079-1093
    • Cheng, T.1
  • 11
    • 0037763817 scopus 로고    scopus 로고
    • Comparative evaluation of 11 scoring functions for molecular docking
    • DOI 10.1021/jm0203783
    • Wang R, Lu Y, Wang S, Comparative evaluation of 11 scoring functions for moleculardocking, J Med Chem 46(12):2287-2303, 2003. (Pubitemid 36637914)
    • (2003) Journal of Medicinal Chemistry , vol.46 , Issue.12 , pp. 2287-2303
    • Wang, R.1    Lu, Y.2    Wang, S.3
  • 12
    • 77957898063 scopus 로고    scopus 로고
    • Scoring functions and their evaluation methods for protein-liganddocking: Recent advances and future directions
    • Huang S et al., Scoring functions and their evaluation methods for protein-liganddocking: Recent advances and future directions, Phys Chem Chem Phys 12(40):12899-12908, 2010.
    • (2010) Phys Chem Chem Phys , vol.12 , Issue.40 , pp. 12899-12908
    • Huang, S.1
  • 13
    • 79953232769 scopus 로고    scopus 로고
    • Global free energy scoring functions based on distancedependentatom-type pair descriptors
    • Kramer C, Gedeck P, Global free energy scoring functions based on distancedependentatom-type pair descriptors, J Chem Inf Model 51(3):707-720, 2011.
    • (2011) J Chem Inf Model , vol.51 , Issue.3 , pp. 707-720
    • Kramer, C.1    Gedeck, P.2
  • 14
    • 77952825581 scopus 로고    scopus 로고
    • A machine learning approach to predicting protein-ligandbinding affinity with applications to molecular docking
    • Ballester P, Mitchell J, A machine learning approach to predicting protein-ligandbinding affinity with applications to molecular docking, Bioinformatics 26(9):1169,2010.
    • (2010) Bioinformatics , vol.26 , Issue.9 , pp. 1169
    • Ballester, P.1    Mitchell, J.2
  • 15
    • 0016556021 scopus 로고
    • A new approach to manipulator control: The cerebellar model articulationcontroller (CMAC)
    • Albus J, A new approach to manipulator control: The cerebellar model articulationcontroller (CMAC), J Dynam Sys Measurement Control 97:220, 1975.
    • (1975) J Dynam Sys Measurement Control , vol.97 , pp. 220
    • Albus, J.1
  • 17
    • 23444454552 scopus 로고    scopus 로고
    • The amber biomolecular simulation programs
    • Case D et al., The amber biomolecular simulation programs, J Comput Chem26(16):1668, 2005.
    • (2005) J Comput Chem , vol.26 , Issue.16 , pp. 1668
    • Case, D.1
  • 18
    • 0028854034 scopus 로고
    • Molecular recognition of receptor sites using a genetic algorithm witha description of desolvation
    • Jones G et al., Molecular recognition of receptor sites using a genetic algorithm witha description of desolvation, J Mol Biol 245:43-53, 1995.
    • (1995) J Mol Biol , vol.245 , pp. 43-53
    • Jones, G.1
  • 20
    • 76149120388 scopus 로고    scopus 로고
    • AutoDock Vina: Improving the speed and accuracy of docking witha new scoring function, efficient optimization, and multi-threading
    • Trott O, Olson A, AutoDock Vina: Improving the speed and accuracy of docking witha new scoring function, efficient optimization, and multi-threading, J Comput Chem31(2):455-461, 2010.
    • (2010) J Comput Chem , vol.31 , Issue.2 , pp. 455-461
    • Trott, O.1    Olson, A.2
  • 21
    • 0036022960 scopus 로고    scopus 로고
    • Further development and validation of empirical scoring functions for structure-based binding affinity prediction
    • DOI 10.1023/A:1016357811882
    • Wang R et al., Further development and validation of empirical scoring functions forstructure-based binding affinity prediction, J Comput Aid Mol Des 16:11-26, 2002. (Pubitemid 34855041)
    • (2002) Journal of Computer-Aided Molecular Design , vol.16 , Issue.1 , pp. 11-26
    • Wang, R.1    Lai, L.2    Wang, S.3
  • 22
    • 78649517318 scopus 로고    scopus 로고
    • Leave-cluster-out cross-validation is appropriate for scoringfunctions derived from diverse protein data sets
    • Kramer C, Gedeck P, Leave-cluster-out cross-validation is appropriate for scoringfunctions derived from diverse protein data sets, J Chem Inf Model 50(11):1961-1969,2010.
    • (2010) J Chem Inf Model , vol.50 , Issue.11 , pp. 1961-1969
    • Kramer, C.1    Gedeck, P.2
  • 23
    • 0042121237 scopus 로고    scopus 로고
    • Multiple sequence alignment with the Clustal series of programs
    • Chenna R et al., Multiple sequence alignment with the Clustal series of programs,Nucleic Acid Res 31(13):3497, 2003.
    • (2003) Nucleic Acid Res , vol.31 , Issue.13 , pp. 3497
    • Chenna, R.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.