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Volumn 46, Issue 1, 2006, Pages 438-444

On updating torsion angles of molecular conformations

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; BIOCHEMICAL ENGINEERING; DESCRIBING FUNCTIONS; GEOMETRY; MATRIX ALGEBRA; TORSIONAL STRESS;

EID: 33244485522     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci050253h     Document Type: Conference Paper
Times cited : (14)

References (17)
  • 2
    • 0013433957 scopus 로고    scopus 로고
    • Distance geometry: Theory, algorithms, and chemical applications
    • Ragué, V., Schreiner, P. R., Allinger, N. L., Clark, T., Gasteiger, J., Kollman, P. A., Schaefer, H. F., III, Eds.; J. Wiley & Sons: New York
    • Havel, T. F. Distance geometry: theory, algorithms, and chemical applications. In Encyclopedia of Computational Chemistry, Ragué, V., Schreiner, P. R., Allinger, N. L., Clark, T., Gasteiger, J., Kollman, P. A., Schaefer, H. F., III, Eds.; J. Wiley & Sons: New York, 1998; pp 723-742.
    • (1998) Encyclopedia of Computational Chemistry , pp. 723-742
    • Havel, T.F.1
  • 4
    • 5344228538 scopus 로고    scopus 로고
    • Gasteiger, J., Engel, T., Eds.; Wiley-VCH: Weinheim, Germany
    • Chemoinformatics; Gasteiger, J., Engel, T., Eds.; Wiley-VCH: Weinheim, Germany, 2003.
    • (2003) Chemoinformatics
  • 5
    • 31244436296 scopus 로고    scopus 로고
    • A linear-time algorithm for solving the molecular distance geometry problem with exact interatomic distances
    • Dong, Q.; Wu, Z. A linear-time algorithm for solving the molecular distance geometry problem with exact interatomic distances. J. Global Optimization 2002, 22, 365-375.
    • (2002) J. Global Optimization , vol.22 , pp. 365-375
    • Dong, Q.1    Wu, Z.2
  • 6
    • 33244492063 scopus 로고    scopus 로고
    • note
    • Unless using the energy function as in ICFF (ref 7), which is expressed in terms of internal coordinates.
  • 7
    • 0037472825 scopus 로고    scopus 로고
    • ICCF: A new method to incorporate implicit flexibility into an internal coordinate force field
    • Katritch, V.; Totrov, M. M.; Abagyan, R. A. ICCF: a new method to incorporate implicit flexibility into an internal coordinate force field. J. Comput. Chem. 2003, 24, 254-65.
    • (2003) J. Comput. Chem. , vol.24 , pp. 254-265
    • Katritch, V.1    Totrov, M.M.2    Abagyan, R.A.3
  • 8
    • 0036429763 scopus 로고    scopus 로고
    • A new method for fast and accurate derivation of molecular conformations
    • Zhang, M.; Kavraki, L. E. A new method for fast and accurate derivation of molecular conformations. J. Chem. Inf. Comput. Sci. 2002, 42, 64-70.
    • (2002) J. Chem. Inf. Comput. Sci. , vol.42 , pp. 64-70
    • Zhang, M.1    Kavraki, L.E.2
  • 12
    • 0033505579 scopus 로고    scopus 로고
    • Rotational superposition: A review of methods
    • Flower, D. R. Rotational superposition: a review of methods. J. Mol. Graphics Modell. 1999, 17, 238-244.
    • (1999) J. Mol. Graphics Modell. , vol.17 , pp. 238-244
    • Flower, D.R.1
  • 13
    • 84975553202 scopus 로고
    • Closed-form solution of absolute orientation using unit quaternions
    • Horn, B. K. P. Closed-form solution of absolute orientation using unit quaternions. J. Opt. Soc. Am. A 1987, 4, 629-642.
    • (1987) J. Opt. Soc. Am. A , vol.4 , pp. 629-642
    • Horn, B.K.P.1
  • 14
    • 0030599010 scopus 로고    scopus 로고
    • A fast flexible docking method using an incremental construction algorithm
    • Rarey, M.; Kramer, B.; Lengauer, T.; Klebe, G. A fast flexible docking method using an incremental construction algorithm. J. Mol. Biol. 1996, 261, 470-489.
    • (1996) J. Mol. Biol. , vol.261 , pp. 470-489
    • Rarey, M.1    Kramer, B.2    Lengauer, T.3    Klebe, G.4
  • 15
    • 0344011014 scopus 로고    scopus 로고
    • On the rotational operators in protein structure simulations
    • Alvarado, C.; Kazerounian, K. On the rotational operators in protein structure simulations. Protein Eng. 2003, 16, 717-720.
    • (2003) Protein Eng. , vol.16 , pp. 717-720
    • Alvarado, C.1    Kazerounian, K.2
  • 16
    • 0004279711 scopus 로고    scopus 로고
    • Massachusetts Institute of Technology Press: Cambridge, MA
    • Mason, M. T. Mechanics of Robotic Manipulation; Massachusetts Institute of Technology Press: Cambridge, MA, 2001.
    • (2001) Mechanics of Robotic Manipulation
    • Mason, M.T.1
  • 17
    • 28844498345 scopus 로고    scopus 로고
    • YUCCA: An efficient algorithm for small molecule docking
    • Choi, V. YUCCA: An Efficient Algorithm for Small Molecule Docking. Chem. Biodiversity 2005, 11, 1517-1524.
    • (2005) Chem. Biodiversity , vol.11 , pp. 1517-1524
    • Choi, V.1


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