CrossRef enabled

PAC Archives

Archive →

Pure Appl. Chem., 2003, Vol. 75, No. 11-12, pp. 2405-2410

http://dx.doi.org/10.1351/pac200375112405

Fragment molecular orbital study of the binding energy of ligands to the estrogen receptor

Kaori Fukuzawa, Kazuo Kitaura, K. Nakata, Tsuguchika Kaminuma and T. Nakano

Fuji Research Institute Corporation, 2-3 Kanda Nishiki-cho, Chiyoda-ku, Tokyo 101-8443, Japan; National Institute of Advanced Industrial Science and Technology, 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568, Japan; National Institute of Health Sciences, 1-18-1 Kamiyoga, Setagaya-ku, Tokyo 158-8501, Japan; Chem-Bio Informatics Society, 4-3-16 Yoga #301, Setagaya-ku, Tokyo 158-0097, Japan

CrossRef Cited-by theme picture

CrossRef Cited-by Linking

  • Sun Yao, Zhang Rui, Li Ding, Feng Lingling, Wu Di, Feng Lina, Huang Peipei, Ren Yanliang, Feng JiangTao, Xiao San, Wan Jian: Pharmacophore-Based Virtual Screening and Experimental Validation of Novel Inhibitors against Cyanobacterial Fructose-1,6-/Sedoheptulose-1,7-bisphosphatase. J. Chem. Inf. Model. 2014, 54, 894. <http://dx.doi.org/10.1021/ci4007529>
  • Ishii Noriyuki, Sato Takao: Anisotropic intersubunit and inter-ring interactions revealed in the native bullet-shaped chaperonin complex from Thermus thermophilus. Biochimica et Biophysica Acta (BBA) - General Subjects 2013, 1830, 2907. <http://dx.doi.org/10.1016/j.bbagen.2013.01.003>
  • Gordon Mark S., Fedorov Dmitri G., Pruitt Spencer R., Slipchenko Lyudmila V.: Fragmentation Methods: A Route to Accurate Calculations on Large Systems. Chemistry Review 2012, 112, 632. <http://dx.doi.org/10.1021/cr200093j>
  • Fedorov Dmitri G., Nagata Takeshi, Kitaura Kazuo: Exploring chemistry with the fragment molecular orbital method. PCCP 2012, 14, 7562. <http://dx.doi.org/10.1039/c2cp23784a>
  • Zhang Qingye, Yu Chan, Min Jun, Wang Yan, He Jin, Yu Ziniu: Rational questing for potential novel inhibitors of FabK from Streptococcus pneumoniae by combining FMO calculation, CoMFA 3D-QSAR modeling and virtual screening. J Mol Model 2011, 17, 1483. <http://dx.doi.org/10.1007/s00894-010-0847-9>
  • Watanabe Chiduru, Watanabe Hirofumi, Tanaka Shigenori: An interpretation of positional displacement of the helix12 in nuclear receptors: Preexistent swing-up motion triggered by ligand binding. Biochimica et Biophysica Acta (BBA) - Proteins and Proteomics 2010, 1804, 1832. <http://dx.doi.org/10.1016/j.bbapap.2010.06.009>
  • Gribov L. A.: Fragment method for calculating the characteristics of the electronic states of very complex molecules. J Struct Chem 2008, 49, 1. <http://dx.doi.org/10.1007/s10947-008-0001-z>
  • FUKUZAWA Kaori, NAKANO Tatsuya, KATO Akifumi, MOCHIZUKI Yuji, TANAKA Shigenori: Applications of the Fragment Molecular Orbital Method for Bio-Macromolecules. J Comput Chem Jpn 2007, 6, 185. <http://dx.doi.org/10.2477/jccj.6.185>
  • WATANABE Toshio, INADOMI Yuichi, ISHIMOTO Takayoshi, UMEDA Hiroaki, SAKURAI Tetsuya, NAGASHIMA Umpei: Molecular Orbital Calculation for Large Molecule. J Comput Chem Jpn 2007, 6, 217. <http://dx.doi.org/10.2477/jccj.6.217>
  • Fukuzawa Kaori, Komeiji Yuto, Mochizuki Yuji, Kato Akifumi, Nakano Tatsuya, Tanaka Shigenori: Intra- and intermolecular interactions between cyclic-AMP receptor protein and DNA:Ab initio fragment molecular orbital study. J Comput Chem 2006, 27, 948. <http://dx.doi.org/10.1002/jcc.20399>
  • Fukuzawa Kaori, Kitaura Kazuo, Uebayasi Masami, Nakata Kotoko, Kaminuma Tsuguchika, Nakano Tatsuya: Ab initio quantum mechanical study of the binding energies of human estrogen receptor α with its ligands: An application of fragment molecular orbital method. J Comput Chem 2005, 26, 1. <http://dx.doi.org/10.1002/jcc.20130>
  • Ishimoto Takayoshi, Tokiwa Hiroaki, Teramae Hiroyuki, Nagashima Umpei: Theoretical study of intramolecular interaction energies during dynamics simulations of oligopeptides by the fragment molecular orbital-Hamiltonian algorithm method. J Chem Phys 2005, 122, 094905. <http://dx.doi.org/10.1063/1.1857481>
  • AIZAWA Masahiro, ONODERA Kenji, ZHANG Junwei, AMARI Shinji, IWASAWA Yoshio, NAKANO Tatsuya, NAKATA Kotoko: KiBank: A Database for Computer-Aided Drug Design Based on Protein-Chemical Interaction Analysis. YAKUGAKU ZASSHI 2004, 124, 613. <http://dx.doi.org/10.1248/yakushi.124.613>