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Volumn 1, Issue , 2004, Pages 212-219

Molecular force field parametrization using multi-objective evolutionary algorithms

Author keywords

[No Author keywords available]

Indexed keywords

MOLECULAR FORCE FIELDS; MULTI-OBJECTIVE EVOLUTIONARY ALGORITHMS (MOEA); MULTI-OBJECTIVE PARTICLE SWARM OPTIMIZATION (MOPSO); PARAMETRIZATION;

EID: 4344707079     PISSN: None     EISSN: None     Source Type: Conference Proceeding    
DOI: None     Document Type: Conference Paper
Times cited : (22)

References (23)
  • 1
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    • Empirical force fields. Overview and parameter optimization
    • A. D. MacKerell. Empirical force fields. Overview and parameter optimization. In 43th Sanibel Symposium, 2003.
    • (2003) 43th Sanibel Symposium
    • MacKerell, A.D.1
  • 2
    • 0035451865 scopus 로고    scopus 로고
    • Automatic parameterization of force field by systematic search and genetic algorithms
    • J. Wang and P. A. Kollman. Automatic parameterization of force field by systematic search and genetic algorithms. Journal of Computational Chemistry, 22:1219-1228, 2001.
    • (2001) Journal of Computational Chemistry , vol.22 , pp. 1219-1228
    • Wang, J.1    Kollman, P.A.2
  • 3
    • 4344637916 scopus 로고    scopus 로고
    • PhD thesis, Technische Universität München, Garching, Germany
    • M. Busold. PhD thesis, Technische Universität München, Garching, Germany, 2001.
    • (2001)
    • Busold, M.1
  • 4
    • 0035789426 scopus 로고    scopus 로고
    • FFGenerAtor 2.0 - An automated tool for the generation of MM3 force field parameters
    • T. Strassner, M. Busold, and H. Radrich. FFGenerAtor 2.0 - an automated tool for the generation of MM3 force field parameters. Journal of Molecular Modeling, 7:374-377, 2001.
    • (2001) Journal of Molecular Modeling , vol.7 , pp. 374-377
    • Strassner, T.1    Busold, M.2    Radrich, H.3
  • 6
    • 3042988525 scopus 로고
    • Conformational analysis. MM2. A hydrocarbon force field utilizing V1 and V2 torsional terms
    • N. L. Allinger. Conformational analysis. MM2. a hydrocarbon force field utilizing V1 and V2 torsional terms. Journal of the American Chemical Society, 99:8127-34, 1977.
    • (1977) Journal of the American Chemical Society , vol.99 , pp. 8127-8134
    • Allinger, N.L.1
  • 7
    • 0000994201 scopus 로고    scopus 로고
    • Optimization and analysis of force field parameters by combination of genetic algorithms and neural networks
    • J. Hunger and G Huttner. Optimization and analysis of force field parameters by combination of genetic algorithms and neural networks. Journal of Computational Chemistry, 20:455-471, 1999.
    • (1999) Journal of Computational Chemistry , vol.20 , pp. 455-471
    • Hunger, J.1    Huttner, G.2
  • 11
    • 84942162725 scopus 로고    scopus 로고
    • Strategies for finding good local guides in multi-objective particle swarm optimization
    • S. Mostaghim and J. Teich. Strategies for finding good local guides in multi-objective particle swarm optimization. In IEEE Swarm Intelligence Symposium, pages 26-33, 2003.
    • (2003) IEEE Swarm Intelligence Symposium , pp. 26-33
    • Mostaghim, S.1    Teich, J.2
  • 17
    • 36549102102 scopus 로고
    • Hessian-biased force fields from combining theory and experiment
    • S. Dasgupta and W. A. Goddard III. Hessian-biased force fields from combining theory and experiment. Journal of Chemical Physics, 90:7207-15, 1989.
    • (1989) Journal of Chemical Physics , vol.90 , pp. 7207-7215
    • Dasgupta, S.1    Goddard III, W.A.2
  • 18
    • 15944395860 scopus 로고
    • Systematic ab initio gradient calculation of molecular geometries, force constants, and dipole moment derivatives
    • P. Pulay, G. Fogarasi, F. Pang, and J. E. Boggs. Systematic ab initio gradient calculation of molecular geometries, force constants, and dipole moment derivatives. Journal of the American Chemical Society, 101:2550-60, 1979.
    • (1979) Journal of the American Chemical Society , vol.101 , pp. 2550-2560
    • Pulay, P.1    Fogarasi, G.2    Pang, F.3    Boggs, J.E.4
  • 20
    • 4344570433 scopus 로고    scopus 로고
    • PhD thesis, Universität zu Köln, Köln, Germany
    • R. Rebentisch. PhD thesis, Universität zu Köln, Köln, Germany, 1998.
    • (1998)
    • Rebentisch, R.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.