Absolute configuration of bromochlorofluoromethane from molecular dynamics simulation of its enantioselective complexation by cryptophane-C

被引：0
|
作者：
机构：
来源：
J Am Chem Soc | / 16卷 / 3818期
关键词：
D O I：
暂无
中图分类号：
学科分类号：
摘要：
引用
收藏
相关论文
共 50 条
  • [1] Absolute configuration of bromochlorofluoromethane from molecular dynamics simulation of its enantioselective complexation by cryptophane-C
    CostanteCrassous, J
    Marrone, TJ
    Briggs, JM
    McCammon, JA
    Collet, A
    JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1997, 119 (16) : 3818 - 3823
  • [2] The first enantioselective total synthesis of lantalucratin C and determination of its absolute configuration
    Ogata, Tokutaro
    Tanaka, Manami
    Ishigaki, Momoe
    Shimizu, Maki
    Nishiuchi, Arisa
    Inamoto, Kiyofumi
    Kimachi, Tetsutaro
    TETRAHEDRON, 2015, 71 (38) : 6672 - 6680
  • [3] Absolute entropies from molecular dynamics simulation trajectories
    Schäfer, H
    Mark, AE
    van Gunsteren, WF
    JOURNAL OF CHEMICAL PHYSICS, 2000, 113 (18): : 7809 - 7817
  • [4] Cholecalciferol complexation with hydroxypropyl-β-cyclodextrin (HPBCD) and its molecular dynamics simulation
    Wang, Fang
    Yu, Wenbo
    Popescu, Carmen
    Ibrahim, Ahmed Ashour
    Yu, Dongyue
    Pearson, Ryan
    MacKerell, Alexander D., Jr.
    Hoag, Stephen W.
    PHARMACEUTICAL DEVELOPMENT AND TECHNOLOGY, 2022, 27 (04) : 389 - 398
  • [5] Absolute pKa Values and Solvation Structure of Amino Acids from Density Functional Based Molecular Dynamics Simulation
    Mangold, Martina
    Rolland, Leslie
    Costanzo, Francesca
    Sprik, Michiel
    Sulpizi, Marialore
    Blumberger, Jochen
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2011, 7 (06) : 1951 - 1961
  • [6] Cα torsion angles as a flexible criterion to extract secrets from a molecular dynamics simulation
    Fredrick Robin Devadoss Victor Paul Raj
    Thomas E. Exner
    Journal of Molecular Modeling, 2014, 20
  • [7] Cα torsion angles as a flexible criterion to extract secrets from a molecular dynamics simulation
    Raj, Fredrick Robin Devadoss Victor Paul
    Exner, Thomas E.
    JOURNAL OF MOLECULAR MODELING, 2014, 20 (04)
  • [8] Nanoscale Molecular Dynamics Simulation and Free Energy Decomposition of Hepatitis C Virus and its Interaction with GTP
    Tiwari, Gargi
    Pandey, Vishnudatt
    Ojha, Rajendra Prasad
    MATERIALS TODAY-PROCEEDINGS, 2018, 5 (03) : 9067 - 9075
  • [9] Surface complexation of heavy metal cations on clay edges: insights from first principles molecular dynamics simulation of Ni(II)
    Zhang, Chi
    Liu, Xiandong
    Lu, Xiancai
    He, Mengjia
    Meijer, Evert Jan
    Wang, Rucheng
    GEOCHIMICA ET COSMOCHIMICA ACTA, 2017, 203 : 54 - 68
  • [10] Mechanical Properties of C3N Nanotubes from Molecular Dynamics Simulation Studies
    Salmankhani, Azam
    Karami, Zohre
    Mashhadzadeh, Amin Hamed
    Saeb, Mohammad Reza
    Fierro, Vanessa
    Celzard, Alain
    NANOMATERIALS, 2020, 10 (05)
12345