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Results: 1-8 |
Results: 8
Fragment molecular orbital method: analytical energy gradients
Authors: Kitaura, K Sugiki, SI Nakano, T Komeiji, Y Uebayasi, M
Citation: K. Kitaura et al., Fragment molecular orbital method: analytical energy gradients, CHEM P LETT, 336(1-2), 2001, pp. 163-170
Prediction of endocrine disrupters based on a new structure-activity relationship for sex and environmental hormones using chemical hardness concept
Authors: Kobayashi, S Sugaya, T Sakata, N Uebayasi, M Sameshima, K Tanaka, A
Citation: S. Kobayashi et al., Prediction of endocrine disrupters based on a new structure-activity relationship for sex and environmental hormones using chemical hardness concept, CHEM PHARM, 49(6), 2001, pp. 680-688
Molecular dynamics simulation of trp-repressor/operator complex: analysis of hydrogen bond patterns of protein-DNA interaction
Authors: Suenaga, A Yatsu, C Komeiji, Y Uebayasi, M Meguro, T Yamato, I
Citation: A. Suenaga et al., Molecular dynamics simulation of trp-repressor/operator complex: analysis of hydrogen bond patterns of protein-DNA interaction, J MOL STRUC, 526, 2000, pp. 209-218
Fragment molecular orbital method: application to polypeptides
Authors: Nakano, T Kaminuma, T Sato, T Akiyama, Y Uebayasi, M Kitaura, K
Citation: T. Nakano et al., Fragment molecular orbital method: application to polypeptides, CHEM P LETT, 318(6), 2000, pp. 614-618
Molecular dynamics simulation of the Hin-recombinase - DNA complex
Authors: Komeiji, Y Uebayasi, M
Citation: Y. Komeiji et M. Uebayasi, Molecular dynamics simulation of the Hin-recombinase - DNA complex, MOL SIMULAT, 21(5-6), 1999, pp. 303-324
Fragment molecular orbital method: an approximate computational method forlarge molecules
Authors: Kitaura, K Ikeo, E Asada, T Nakano, T Uebayasi, M
Citation: K. Kitaura et al., Fragment molecular orbital method: an approximate computational method forlarge molecules, CHEM P LETT, 313(3-4), 1999, pp. 701-706
Pair interaction molecular orbital method: an approximate computational method for molecular interactions
Authors: Kitaura, K Sawai, T Asada, T Nakano, T Uebayasi, M
Citation: K. Kitaura et al., Pair interaction molecular orbital method: an approximate computational method for molecular interactions, CHEM P LETT, 312(2-4), 1999, pp. 319-324
Change in conformation by DNA-peptide association: Molecular dynamics of the Hin-recombinase-hixL complex
Authors: Komeiji, Y Uebayasi, M
Citation: Y. Komeiji et M. Uebayasi, Change in conformation by DNA-peptide association: Molecular dynamics of the Hin-recombinase-hixL complex, BIOPHYS J, 77(1), 1999, pp. 123-138
Risultati: 1-8 |