Free energy simulations using extended Lagrangian methods: Applications to ligand binding and rapid screening of ligand-receptor interactions.

被引:0
作者
Brooks, CL [1 ]
Guo, ZY [1 ]
机构
[1] Scripps Res Inst, La Jolla, CA 92037 USA
来源
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 1998年 / 216卷
关键词
D O I
暂无
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
072-COMP
引用
收藏
页码:U705 / U705
页数:1
相关论文
共 50 条
[21]   Rapid, ligand-receptor binding affinity prediction via petascale computing [J].
Jiang, Wei ;
Yang, Sichun .
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2016, 251
[22]   NMR and Computational Methods in the Structural and Dynamic Characterization of Ligand-Receptor Interactions [J].
Ghitti, Michela ;
Musco, Giovanna ;
Spitaleri, Andrea .
PROTEIN CONFORMATIONAL DYNAMICS, 2014, 805 :271-329
[23]   PyFepRestr: Plugin to PyMOL Molecular Graphics System for Calculating the Free Energy of Ligand-Receptor Binding [J].
Lashkov, A. A. ;
Tolmachev, I. V. ;
Eistrikh-Heller, P. A. ;
Rubinsky, S. V. .
CRYSTALLOGRAPHY REPORTS, 2021, 66 (05) :861-865
[24]   LTHREADER: Prediction of ligand-receptor interactions using localized threading [J].
Pulim, Vinay ;
Bienkowska, Jadwiga ;
Berger, Bonnie .
PACIFIC SYMPOSIUM ON BIOCOMPUTING 2007, 2007, :64-+
[25]   Optical amplification of ligand-receptor binding using liquid crystals [J].
Gupta, VK ;
Skaife, JJ ;
Dubrovsky, TB ;
Abbott, NL .
SCIENCE, 1998, 279 (5359) :2077-2080
[26]   Free energy simulations for protein ligand binding and stability [J].
El Hage, Krystel ;
Mondal, Padmabati ;
Meuwly, Markus .
MOLECULAR SIMULATION, 2018, 44 (13-14) :1044-1061
[27]   Communication: Free energy of ligand-receptor systems forming multimeric complexes [J].
Di Michele, Lorenzo ;
Bachmann, Stephan J. ;
Parolini, Lucia ;
Mognetti, Bortolo M. .
JOURNAL OF CHEMICAL PHYSICS, 2016, 144 (16)
[28]   Trinuclear Ruthenium Clusters as Bivalent Electrochemical Probes for Ligand-Receptor Binding Interactions [J].
Feld, Daniel J. ;
Hsu, Hsiao-Tieh ;
Eckermann, Amanda L. ;
Meade, Thomas J. .
LANGMUIR, 2012, 28 (01) :939-949
[29]   An ELISA Based Binding and Competition Method to Rapidly Determine Ligand-receptor Interactions [J].
Syedbasha, Mohameedyaseen ;
Linnik, Janina ;
Santer, Deanna ;
O'Shea, Daire ;
Barakat, Khaled ;
Joyce, Michael ;
Khanna, Nina ;
Tyrrell, D. Lorne ;
Houghton, Michael ;
Egli, Adrian .
JOVE-JOURNAL OF VISUALIZED EXPERIMENTS, 2016, (109)
[30]   Combinatorial entropy behaviour leads to range selective binding in ligand-receptor interactions [J].
Meng Liu ;
Azzurra Apriceno ;
Miguel Sipin ;
Edoardo Scarpa ;
Laura Rodriguez-Arco ;
Alessandro Poma ;
Gabriele Marchello ;
Giuseppe Battaglia ;
Stefano Angioletti-Uberti .
Nature Communications, 11