Will the Real Cryptic Pocket Please Stand Out?

被引:7
作者
Amaro, Rommie E. [1 ]
机构
[1] Univ Calif San Diego, Dept Chem & Biochem, La Jolla, CA 92093 USA
关键词
DISCOVERY;
D O I
10.1016/j.bpj.2019.01.018
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:753 / 754
页数:2
相关论文
共 14 条
[1]   Ensemble Docking in Drug Discovery [J].
Amaro, Rommie E. ;
Baudry, Jerome ;
Chodera, John ;
Demir, Ozlem ;
McCammon, J. Andrew ;
Miao, Yinglong ;
Smith, Jeremy C. .
BIOPHYSICAL JOURNAL, 2018, 114 (10) :2271-2278
[2]   Novel Naphthalene-Based Inhibitors of Trypanosoma brucei RNA Editing Ligase 1 [J].
Durrant, Jacob D. ;
Hall, Laurence ;
Swift, Robert V. ;
Landon, Melissa ;
Schnaufer, Achim ;
Amaro, Rommie E. .
PLOS NEGLECTED TROPICAL DISEASES, 2010, 4 (08)
[3]   Clustering by passing messages between data points [J].
Frey, Brendan J. ;
Dueck, Delbert .
SCIENCE, 2007, 315 (5814) :972-976
[4]   Andrographolide derivatives inhibit guanine nucleotide exchange and abrogate oncogenic Ras function [J].
Hocker, Harrison J. ;
Cho, Kwang-Jin ;
Chen, Chung-Ying K. ;
Rambahal, Nandini ;
Sagineedu, Sreenivasa Rao ;
Shaari, Khozirah ;
Stanslas, Johnson ;
Hancock, John F. ;
Gorfe, Alemayehu A. .
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2013, 110 (25) :10201-10206
[5]   Markov State Models: From an Art to a Science [J].
Husic, Brooke E. ;
Pande, Vijay S. .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2018, 140 (07) :2386-2396
[6]   Allosteric Communication Networks in Proteins Revealed through Pocket Crosstalk Analysis [J].
La Sala, Giuseppina ;
Decherchi, Sergio ;
De Vivo, Marco ;
Rocchia, Walter .
ACS CENTRAL SCIENCE, 2017, 3 (09) :949-960
[7]   Allostery in Disease and in Drug Discovery [J].
Nussinov, Ruth ;
Tsai, Chung-Jung .
CELL, 2013, 153 (02) :293-305
[8]   Understanding Cryptic Pocket Formation in Protein Targets by Enhanced Sampling Simulations [J].
Oleinikovas, Vladimiras ;
Saladino, Giorgio ;
Cossins, Benjamin P. ;
Gervasio, Francesco L. .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2016, 138 (43) :14257-14263
[9]   K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions [J].
Ostrem, Jonathan M. ;
Peters, Ulf ;
Sos, Martin L. ;
Wells, James A. ;
Shokat, Kevan M. .
NATURE, 2013, 503 (7477) :548-+
[10]   Cooperative Changes in Solvent Exposure Identify Cryptic Pockets, Switches, and Allosteric Coupling [J].
Porter, Justin R. ;
Moeder, Katelyn E. ;
Sibbald, Carrie A. ;
Zimmerman, Maxwell, I ;
Hart, Kathryn M. ;
Greenberg, Michael J. ;
Bowman, Gregory R. .
BIOPHYSICAL JOURNAL, 2019, 116 (05) :818-830