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Volumn 2838, Issue , 2003, Pages 156-167

Application of Inductive Logic Programming to Structure-Based Drug Design

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; BIOTECHNOLOGY; DRUG DOSAGE; HYDROGEN BONDS; MOLECULAR STRUCTURE; PROBLEM SOLVING; PROTEINS; REGRESSION ANALYSIS; COMPLEXATION; DATABASE SYSTEMS; DESIGN; DRUG DELIVERY; ENZYME ACTIVITY; LIGANDS;

EID: 9444285014     PISSN: 03029743     EISSN: None     Source Type: Conference Proceeding    
DOI: 10.1007/978-3-540-39804-2_16     Document Type: Conference Paper
Times cited : (6)

References (25)
  • 1
    • 9444286068 scopus 로고    scopus 로고
    • Sybyl 6.8. - Tripos Associates, Inc., 1699 S. Hanley Road, St. Louis, MO
    • Sybyl 6.8. - Tripos Associates, Inc., 1699 S. Hanley Road, St. Louis, MO,
  • 2
    • 0031189711 scopus 로고    scopus 로고
    • Molecular recognition of protein-ligand complexes: Applications to drug design
    • R.E. Babine and S.L. Bender. Molecular recognition of protein-ligand complexes: Applications to drug design. Chemical Reviews, 97(5):1359-1472, 1997.
    • (1997) Chemical Reviews , vol.97 , Issue.5 , pp. 1359-1472
    • Babine, R.E.1    Bender, S.L.2
  • 5
    • 0023751431 scopus 로고
    • Comparative molecular field analysis (CoMFA). 1. Effect of shape on binding of steroids to carrier proteins
    • R.D. Cramer, D.E. Patterson, and J.D. Bunce. Comparative molecular field analysis (CoMFA). 1. Effect of shape on binding of steroids to carrier proteins. Journal of the American Chemical Society, 110(18):5959-5967, 1988.
    • (1988) Journal of the American Chemical Society , vol.110 , Issue.18 , pp. 5959-5967
    • Cramer, R.D.1    Patterson, D.E.2    Bunce, J.D.3
  • 6
    • 9144267095 scopus 로고    scopus 로고
    • An introduction to inductive logic programming
    • Dzeroski S. and Lavrac N., editors. Springer-Verlag
    • S. Dzeroski and N. Lavrac. An introduction to inductive logic programming. In Dzeroski S. and Lavrac N., editors, Relational Data Mining, pages 28-73. Springer-Verlag, 2001.
    • (2001) Relational Data Mining , pp. 28-73
    • Dzeroski, S.1    Lavrac, N.2
  • 7
    • 0031226772 scopus 로고    scopus 로고
    • Empirical scoring functions: I. the development of a fast empirical scoring function to estimate the binding affinity of ligands in receptor complexes
    • M.D. Eldridge, C.W. Murray, T.R. Auton, G.V. Paolini, and R.P. Mee. Empirical scoring functions: I. The development of a fast empirical scoring function to estimate the binding affinity of ligands in receptor complexes. Journal of Computer-Aided Molecular Design, 11(5):425-445, 1997.
    • (1997) Journal of Computer-aided Molecular Design , vol.11 , Issue.5 , pp. 425-445
    • Eldridge, M.D.1    Murray, C.W.2    Auton, T.R.3    Paolini, G.V.4    Mee, R.P.5
  • 8
    • 0031997218 scopus 로고    scopus 로고
    • Pharmacophore discovery using the inductive logic programming system PROGOL
    • P.W. Finn, S. Muggleton, D. Page, and A. Srinivasan. Pharmacophore discovery using the inductive logic programming system PROGOL. Machine Learning, 30(2-3):241-270, 1998.
    • (1998) Machine Learning , vol.30 , Issue.2-3 , pp. 241-270
    • Finn, P.W.1    Muggleton, S.2    Page, D.3    Srinivasan, A.4
  • 9
    • 0036606483 scopus 로고    scopus 로고
    • Principles of docking: An overview of search algorithms and a guide to scoring functions
    • I. Halperin, B. Ma, H. Wolfson, and R. Nussinov. Principles of docking: An overview of search algorithms and a guide to scoring functions. Proteins, 47(4):409-443, 2002.
    • (2002) Proteins , vol.47 , Issue.4 , pp. 409-443
    • Halperin, I.1    Ma, B.2    Wolfson, H.3    Nussinov, R.4
  • 10
    • 0034081944 scopus 로고    scopus 로고
    • Evaluation of docking/scoring approaches: A comparative study based on MMP3 inhibitors
    • S. Ha, R. Andreani, A. Robbins, and I. Muegge. Evaluation of docking/scoring approaches: a comparative study based on MMP3 inhibitors. Journal of Computer-Aided Molecular Design, 14(5):435-448, 2000.
    • (2000) Journal of Computer-aided Molecular Design , vol.14 , Issue.5 , pp. 435-448
    • Ha, S.1    Andreani, R.2    Robbins, A.3    Muegge, I.4
  • 12
    • 0028493138 scopus 로고
    • Quantitative structure-activity relationships by neural networks and inductive logic programming. I. the inhibition of dihydrofolate reductase by pyriminides
    • J.D. Hirst, R.D. King, and M.J.E. Sternberg. Quantitative structure-activity relationships by neural networks and inductive logic programming. I. The inhibition of dihydrofolate reductase by pyriminides. Journal of Computer-Aided Molecular Design, 8(4):405-420, 1994.
    • (1994) Journal of Computer-aided Molecular Design , vol.8 , Issue.4 , pp. 405-420
    • Hirst, J.D.1    King, R.D.2    Sternberg, M.J.E.3
  • 13
    • 0027930292 scopus 로고
    • Compass: Predicting biological activities from molecular surface properties. Performance comparisons on a steroid benchmark
    • A.N. Jain, K. Koile, and D. Chapman. Compass: predicting biological activities from molecular surface properties. performance comparisons on a steroid benchmark. Journal of Medicinal Chemistry, 37(15):2315-2327, 1994.
    • (1994) Journal of Medicinal Chemistry , vol.37 , Issue.15 , pp. 2315-2327
    • Jain, A.N.1    Koile, K.2    Chapman, D.3
  • 14
    • 0032828061 scopus 로고    scopus 로고
    • Computational approaches to structure-based ligand design
    • D. Joseph-McCarthy. Computational approaches to structure-based ligand design. Pharmacology and Therapeuthics, 84(2):179-191, 1999.
    • (1999) Pharmacology and Therapeuthics , vol.84 , Issue.2 , pp. 179-191
    • Joseph-McCarthy, D.1
  • 15
    • 0026459988 scopus 로고
    • Drug design by machine learning: The use of inductive logic programming to model the structure-activity relationships of trimethoprim analogues binding to dihydrofolate reductase
    • R.D. King, S. Muggleton, R. Lewis, and M.J.E Sternberg. Drug design by machine learning: The use of inductive logic programming to model the structure-activity relationships of trimethoprim analogues binding to dihydrofolate reductase. Proceedings of the National Academy of Sciences of the USA, 89(23):11322-11326, 1992.
    • (1992) Proceedings of the National Academy of Sciences of the USA , vol.89 , Issue.23 , pp. 11322-11326
    • King, R.D.1    Muggleton, S.2    Lewis, R.3    Sternberg, M.J.E.4
  • 16
    • 0030044168 scopus 로고    scopus 로고
    • Structure-activity relationships derived by machine learning: The use of atoms and their bond connectivities to predict mutagenicity by inductive logic programming
    • R.D. King, S. Muggleton, A. Srinivasan, and M.J.E. Sternberg. Structure-activity relationships derived by machine learning: The use of atoms and their bond connectivities to predict mutagenicity by inductive logic programming. Proceedings of the National Academy of Sciences, 93:438-442, 1996.
    • (1996) Proceedings of the National Academy of Sciences , vol.93 , pp. 438-442
    • King, R.D.1    Muggleton, S.2    Srinivasan, A.3    Sternberg, M.J.E.4
  • 19
    • 5444234440 scopus 로고    scopus 로고
    • Computer-aided development and use of three dimensional pharmacophore
    • P. Krogsgaard-Larsen, U. Madsen, and T. Liljefors, editors. Taylor and Francis, London
    • T. Liljefors and I. Pettersson. Computer-aided development and use of three dimensional pharmacophore. In P. Krogsgaard-Larsen, U. Madsen, and T. Liljefors, editors, A Textbook of Drug Design and Development, pages 86-116. Taylor and Francis, London, 2002.
    • (2002) A Textbook of Drug Design and Development , pp. 86-116
    • Liljefors, T.1    Pettersson, I.2
  • 20
    • 0035848409 scopus 로고    scopus 로고
    • Customized versus universal scoring functions: Application to class I MHC-peptide binding free energy predictions
    • A. Logean, A. Sette, and D. Rognan. Customized versus universal scoring functions: application to class I MHC-peptide binding free energy predictions. Bioorganic Medicinal Chemistry Letters, 11(5):675-679, 2001.
    • (2001) Bioorganic Medicinal Chemistry Letters , vol.11 , Issue.5 , pp. 675-679
    • Logean, A.1    Sette, A.2    Rognan, D.3
  • 21
    • 9444284584 scopus 로고    scopus 로고
    • New approach to pharmacophore mapping and QSAR analysis using inductive logic programming. Application to thermolysin inhibitors and glycogen phosphorylase b inhibitors
    • N. Marchand-Geneste, K.A. Watson, B.K. Alsberg, and R.D. King. New approach to pharmacophore mapping and QSAR analysis using inductive logic programming. Application to thermolysin inhibitors and glycogen phosphorylase b inhibitors. Journal of Medicinal Chemistry, 44(18):2861-2864, 2001.
    • (2001) Journal of Medicinal Chemistry , vol.44 , Issue.18 , pp. 2861-2864
    • Marchand-Geneste, N.1    Watson, K.A.2    Alsberg, B.K.3    King, R.D.4
  • 23
    • 0031442549 scopus 로고    scopus 로고
    • A strategy for the incorporation of water molecules present in a ligand-binding site into a 3D-QSAR analysis
    • M. Pastor, G. Cruciani, and K.A. Watson. A strategy for the incorporation of water molecules present in a ligand-binding site into a 3D-QSAR analysis. Journal of Medicinal Chemistry, 40(25):4089-4102, 1997,
    • (1997) Journal of Medicinal Chemistry , vol.40 , Issue.25 , pp. 4089-4102
    • Pastor, M.1    Cruciani, G.2    Watson, K.A.3
  • 24
    • 0030599010 scopus 로고    scopus 로고
    • A fast flexible docking method using an incremental construction algorithm
    • M. Rarey, B. Kramer, T. Lengauer, and G. Klebe. A fast flexible docking method using an incremental construction algorithm. Journal of Molecular Biology, 261(3):470-489, 1996.
    • (1996) Journal of Molecular Biology , vol.261 , Issue.3 , pp. 470-489
    • Rarey, M.1    Kramer, B.2    Lengauer, T.3    Klebe, G.4


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.