Determining the Binding Affinity of Toxoplasma ROP Proteins to a Membrane using Free Energy Calculations

被引：0
|
作者：
Onyeozili, Nwamaka O. [1 ,2 ]
Callenberg, Keith M. [2 ]
Xiao, Siyu C. [2 ]
Boyle, Jon P. [2 ]
Grabe, Michael [2 ]
机构：
[1] Florida A&M Univ, Tallahassee, FL 32307 USA
[2] Univ Pittsburgh, Pittsburgh, PA USA
来源：
BIOPHYSICAL JOURNAL | 2012年 / 102卷 / 03期
关键词：
D O I：
10.1016/j.bpj.2011.11.2588
中图分类号：
Q6 [生物物理学];
学科分类号：
071011 ;
摘要：
引用
收藏
页码：472A / 472A
页数：1
相关论文
共 50 条
  • [31] Binding Free Energy Calculations of Dimannose to Cyanovirin-N High and Low Affinity Sites using the Jarzynski's Equality and Umbrella Sampling
    Ramadugu, Sai Kumar
    Kashyap, Hemant Kumar
    Ghirlanda, Giovanna
    Margulis, Claudio
    GLYCOBIOLOGY, 2011, 21 (11) : 1477 - 1478
  • [32] Hazardous Shortcuts in Standard Binding Free Energy Calculations
    Blazhynska, Marharyta
    de Lacam, Emma Goulard Coderc
    Chen, Haochuan
    Roux, Benoit
    Chipot, Christophe
    JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2022, 13 (27): : 6250 - 6258
  • [33] ProtoCaller: Robust Automation of Binding Free Energy Calculations
    Suruzhon, Miroslav
    Senapathi, Tharindu
    Bodnarchuk, Michael S.
    Viner, Russell
    Wall, Ian D.
    Barnett, Christopher B.
    Naidoo, Kevin J.
    Essex, Jonathan W.
    JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2020, 60 (04) : 1917 - 1921
  • [34] Absolute Binding Free Energy Calculations of Bromodomain Inhibitors
    Aldeghi, Matteo
    Knapp, Stefan
    Heifetz, Alexander
    Barker, John J.
    Bodkin, Michael J.
    Law, Richard J.
    Biggin, Philip C.
    BIOPHYSICAL JOURNAL, 2015, 108 (02) : 357A - 357A
  • [35] Docking and binding free energy calculations of sirtuin inhibitors
    Karaman, Berin
    Sippl, Wolfgang
    EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2015, 93 : 584 - 598
  • [36] Automated Adaptive Absolute Binding Free Energy Calculations
    Clark, Finlay
    Robb, Graeme R.
    Cole, Daniel J.
    Michel, Julien
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2024, 20 (18) : 7806 - 7828
  • [37] Sampling and metastable states in binding free energy calculations
    Fujitani, Hideaki
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2011, 241
  • [38] Binding free energy calculations of adenosine deaminase inhibitors
    Coi, A
    Tonelli, M
    Ganadu, ML
    Bianucci, AM
    BIOORGANIC & MEDICINAL CHEMISTRY, 2006, 14 (08) : 2636 - 2641
  • [39] Binding Free Energy Calculations of NMDA Glutamate Receptors
    Polasa, Adithya
    Ogden, Dylan S.
    Moradi, Mahmoud
    BIOPHYSICAL JOURNAL, 2019, 116 (03) : 529A - 529A
  • [40] Improving and applying alchemical binding free energy calculations
    Mobley, David
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2016, 251
12345