MP2 calculations of interaction energies between acetaminophen and acetaminophen analogs in aryl sulfotransferase

被引:0
|
作者
DiGiovanni, Katherine M. [1 ]
Cafiero, Mauricio [1 ]
机构
[1] Rhodes Coll, Memphis, TN 38112 USA
关键词
D O I
暂无
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
308-COMP
引用
收藏
页数:1
相关论文
共 50 条
  • [31] RELATIONSHIP BETWEEN SULFOTRANSFERASE ACTIVITY AND SUSCEPTIBILITY TO ACETAMINOPHEN-INDUCED LIVER NECROSIS IN THE HAMSTER
    MILLER, MG
    JOLLOW, DJ
    DRUG METABOLISM AND DISPOSITION, 1987, 15 (02) : 143 - 150
  • [32] Heats of formation from G2, G2(MP2), and G2(MP2,SVP) total energies
    Nicolaides, A
    Rauk, A
    Glukhovtsev, MN
    Radom, L
    JOURNAL OF PHYSICAL CHEMISTRY, 1996, 100 (44): : 17460 - 17464
  • [33] ABSENCE OF A PHARMACOKINETIC INTERACTION BETWEEN CHLORAMPHENICOL AND ACETAMINOPHEN IN CHILDREN
    KEARNSGL
    BOCCHINI, JA
    BROWN, RD
    COTTER, DL
    WILSON, JT
    JOURNAL OF PEDIATRICS, 1985, 107 (01): : 134 - 139
  • [34] Structure and stability of thiourea with water, DFT and MP2 calculations
    Zhou, WQ
    Yang, W
    Qiu, LH
    JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2005, 730 (1-3): : 133 - 141
  • [35] New parallel algorithm for MP2 energy gradient calculations
    Ishimura, Kazuya
    Pulay, Peter
    Nagase, Shigeru
    JOURNAL OF COMPUTATIONAL CHEMISTRY, 2007, 28 (12) : 2034 - 2042
  • [36] Investigation of the interaction between argatroban and acetaminophen, lidocaine, or digoxin
    Inglis, AML
    Sheth, SB
    Hursting, MJ
    Tenero, DM
    Graham, AM
    DiCicco, RA
    AMERICAN JOURNAL OF HEALTH-SYSTEM PHARMACY, 2002, 59 (13) : 1258 - 1266
  • [37] MP2 and DFT analysis of the ligand selectivity of a sulfotransferase enzyme: SULT 1A
    Weems, Amelie
    Cafiero, Mauricio
    Peterson, Larryn
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2015, 249
  • [38] Fragment interaction analysis based on local MP2
    Takeshi Ishikawa
    Yuji Mochizuki
    Shinji Amari
    Tatsuya Nakano
    Hiroaki Tokiwa
    Shigenori Tanaka
    Kiyoshi Tanaka
    Theoretical Chemistry Accounts, 2007, 118 : 937 - 945
  • [39] Fragment interaction analysis based on local MP2
    Ishikawa, Takeshi
    Mochizuki, Yuji
    Amari, Shinji
    Nakano, Tatsuya
    Tokiwa, Hiroaki
    Tanaka, Shigenori
    Tanaka, Kiyoshi
    THEORETICAL CHEMISTRY ACCOUNTS, 2007, 118 (5-6) : 937 - 945
  • [40] An Efficient Parallel Algorithm for the Calculation of Unrestricted Canonical MP2 Energies
    Baker, Jon
    Wolinski, Krzysztof
    JOURNAL OF COMPUTATIONAL CHEMISTRY, 2011, 32 (15) : 3304 - 3312