Mechanism of Allosteric Communication in GPCR Activation from Microsecond Scale Molecular Dynamics Simulations

被引：1

作者：

Bhattacharya, Supriyo ^{[1
]}

Vaidehi, Nagarajan ^{[1
]}

机构：

[1] City Hope Natl Med Ctr, Immunol, 1500 E Duarte Rd, Duarte, CA 91010 USA

来源：

BIOPHYSICAL JOURNAL | 2017年 / 112卷 / 03期

关键词：

D O I：

10.1016/j.bpj.2016.11.2697

中图分类号：

Q6 [生物物理学];

学科分类号：

071011 ;

摘要：

2454-Pos

引用

页码：498A / 499A

页数：2

共 50 条

[21] Allosteric inhibition of TEM-1 β lactamase: Microsecond molecular dynamics simulations provide mechanistic insights
Hellemann, Erich
Nallathambi, Amrita
Durrant, Jacob D.
PROTEIN SCIENCE, 2023, 32 (04)
[22] Initial Aggregation and Ordering Mechanism of Diphenylalanine from Microsecond All-Atom Molecular Dynamics Simulations
Anderson, Jakob
Lake, Peter T.
McCullagh, Martin
JOURNAL OF PHYSICAL CHEMISTRY B, 2018, 122 (51): : 12331 - 12341
[23] Large scale investigation of GPCR molecular dynamics data uncovers allosteric sites and lateral gateways
Aranda-Garcia, David
Stepniewski, Tomasz Maciej
Torrens-Fontanals, Mariona
Garcia-Recio, Adrian
Lopez-Balastegui, Marta
Medel-Lacruz, Brian
Morales-Pastor, Adrian
Peralta-Garcia, Alejandro
Dieguez-Eceolaza, Miguel
Sotillo-Nunez, David
Ding, Tianyi
Drabek, Matthaeus
Jacquemard, Celien
Jakowiecki, Jakub
Jespers, Willem
Jimenez-Roses, Mireia
Jun-Yu-Lim, Victor
Nicoli, Alessandro
Orzel, Urszula
Shahraki, Aida
Tiemann, Johanna K. S.
Ledesma-Martin, Vicente
Nerin-Fonz, Francho
Suarez-Dou, Sergio
Canal, Oriol
Pandy-Szekeres, Gaspar
Mao, Jiafei
Gloriam, David E.
Kellenberger, Esther
Latek, Dorota
Guixa-Gonzalez, Ramon
Gutierrez-de-Teran, Hugo
Tikhonova, Irina G.
Hildebrand, Peter W.
Filizola, Marta
Babu, M. Madan
Di Pizio, Antonella
Filipek, Slawomir
Kolb, Peter
Cordomi, Arnau
Giorgino, Toni
Marti-Solano, Maria
Selent, Jana
NATURE COMMUNICATIONS, 2025, 16 (01)
[24] Atomistic Mechanism of Lipid Membrane Binding for Blood Coagulation Factor VIII with Molecular Dynamics Simulations on a Microsecond Time Scale
Avery, Nathan G.
Childers, Kenneth C.
Mccarty, James
Spiegel, Paul Clinton
JOURNAL OF PHYSICAL CHEMISTRY B, 2025, 129 (05): : 1486 - 1498
[25] Flexibility at different stages of mechanism of activation of the GPCR-prototype agrees with local motions explored by molecular dynamics simulations
Gonzalez Ponce, Karla
Madariaga, Abraham
Martinez Mayorga, Karina
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2019, 257
[26] Investigating the allosteric activation mechanism of protein phosphatase 2A using enhanced sampling molecular dynamics simulations
O'Connor, Michael S.
BIOPHYSICAL JOURNAL, 2024, 123 (03) : 65A - 65A
[27] Allosteric-Activation Mechanism of Bovine Chymosin Revealed by Bias-Exchange Metadynamics and Molecular Dynamics Simulations
Ansari, Samiul M.
Coletta, Andrea
Skeby, Katrine Kirkeby
Sorensen, Jesper
Schiott, Birgit
Palmer, David S.
JOURNAL OF PHYSICAL CHEMISTRY B, 2016, 120 (40): : 10453 - 10462
[28] Conformational dynamics of a crystalline protein from microsecond-scale molecular dynamics simulations and diffuse X-ray scattering
Wall, Michael E.
Van Benschoten, Andrew H.
Sauter, Nicholas K.
Adams, Paul D.
Fraser, James S.
Terwilliger, Thomas C.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2014, 111 (50) : 17887 - 17892
[29] Mechanism of allosteric propagation across a β-sheet structure investigated by molecular dynamics simulations
Interlandi, Gianluca
Thomas, Wendy E.
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, 2016, 84 (07) : 990 - 1008
[30] Mechanisms for allosteric activation of protease DegS by ligand binding and oligomerization as revealed from molecular dynamics simulations
Lu, Cheng
Stock, Gerhard
Knecht, Volker
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, 2016, 84 (11) : 1690 - 1705

← 1 2 3 4 5 →