相关参考文献
注意：仅列出部分参考文献，下载原文获取全部文献信息。Gαi1 inhibition mechanism of ATP-bound adenylyl cyclase type 5
Daniele Narzi et al.
PLOS ONE (2021)
Mechanistic basis of propofol-induced disruption of kinesin processivity
Mandira Dutta et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2021)
Computational design of G Protein-Coupled Receptor allosteric signal transductions
Kuang-Yui Michael Chen et al.
NATURE CHEMICAL BIOLOGY (2020)
Assessing the accuracy of direct-coupling analysis for RNA contact prediction
Francesca Cuturello et al.
RNA (2020)
Charge transfer from the carotenoid can quench chlorophyll excitation in antenna complexes of plants
Lorenzo Cupellini et al.
NATURE COMMUNICATIONS (2020)
Exploring Conformational Dynamics of the Extracellular Venus flytrap Domain of the GABAB Receptor: A Path-Metadynamics Study
Linn S. M. Evenseth et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2020)
Structure and function of adenylyl cyclases, key enzymes in cellular signaling
Basavraj Khannpnavar et al.
CURRENT OPINION IN STRUCTURAL BIOLOGY (2020)
A combined activation mechanism for the glucagon receptor
Giulio Mattedi et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2020)
Conformational states dynamically populated by a kinase determine its function
Tao Xie et al.
SCIENCE (2020)
Allosteric Inhibition of Adenylyl Cyclase Type 5 by G-Protein: A Molecular Dynamics Study
Elisa Frezza et al.
BIOMOLECULES (2020)
Using metadynamics to explore complex free-energy landscapes
Giovanni Bussi et al.
NATURE REVIEWS PHYSICS (2020)
The structure of a membrane adenylyl cyclase bound to an activated stimulatory G protein
Chao Qi et al.
SCIENCE (2019)
De novo design of bioactive protein switches
Robert A. Langan et al.
NATURE (2019)
Promoting transparency and reproducibility in enhanced molecular simulations
Massimiliano Bonomi et al.
NATURE METHODS (2019)
An Integrated Markov State Model and Path Metadynamics Approach To Characterize Drug Binding Processes
Mattia Bernetti et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2019)
Association of Both Inhibitory and Stimulatory Gα Subunits Implies Adenylyl Cyclase 5 Deactivation
Siri C. van Keulen et al.
BIOCHEMISTRY (2019)
Regulation of adenylyl cyclase 5 in striatal neurons confers the ability to detect coincident neuromodulatory signals
Neil J. Bruce et al.
PLOS COMPUTATIONAL BIOLOGY (2019)
Structure and dynamics of GPCR signaling complexes
Daniel Hilger et al.
NATURE STRUCTURAL & MOLECULAR BIOLOGY (2018)
SWISS-MODEL: homology modelling of protein structures and complexes
Andrew Waterhouse et al.
NUCLEIC ACIDS RESEARCH (2018)
A molecular dynamics study of adenylyl cyclase: The impact of ATP and G-protein binding
Elisa Frezza et al.
PLOS ONE (2018)
Structure and dynamics of GPCR signaling complexes
Daniel Hilger et al.
NATURE STRUCTURAL & MOLECULAR BIOLOGY (2018)
Biophysical experiments and biomolecular simulations: A perfect match?
Sandro Bottaro et al.
SCIENCE (2018)
Effect of N-Terminal Myristoylation on the Active Conformation of Gαi1-GTP
Sin C. van Keulen et al.
BIOCHEMISTRY (2017)
GPCR Dynamics: Structures in Motion
Naomi R. Latorraca et al.
CHEMICAL REVIEWS (2017)
Uniclust databases of clustered and deeply annotated protein sequences and alignments
Milot Mirdita et al.
NUCLEIC ACIDS RESEARCH (2017)
Exploring the inhibition mechanism of adenylyl cyclase type 5 by n-terminal myristoylated G alpha(i1)
Siri Camee van Keulen et al.
PLOS COMPUTATIONAL BIOLOGY (2017)
Allosteric Modulation as a Unifying Mechanism for Receptor Function and Regulation
Jean-Pierre Changeux et al.
CELL (2016)
3D RNA and Functional Interactions from Evolutionary Couplings
Caleb Weinreb et al.
CELL (2016)
Controlling Allosteric Networks in Proteins
Nikolay V. Dokholyan
CHEMICAL REVIEWS (2016)
Atomic-Level Characterization of the Chain-Flipping Mechanism in Fatty-Acids Biosynthesis
Francesco Colizzi et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2016)
The Human Brain Project: Creating a European Research Infrastructure to Decode the Human Brain
Katrin Amunts et al.
NEURON (2016)
Residues Coevolution Guides the Systematic Identification of Alternative Functional Conformations in Proteins
Pedro Sfriso et al.
STRUCTURE (2016)
From residue coevolution to protein conformational ensembles and functional dynamics
Ludovico Sutto et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2015)
Allostery through the computational microscope: cAMP activation of a canonical signalling domain
Robert D. Malmstrom et al.
NATURE COMMUNICATIONS (2015)
PLUMED-GUI: An environment for the interactive development of molecular dynamics analysis and biasing scripts
Toni Giorgino
COMPUTER PHYSICS COMMUNICATIONS (2014)
Protein Dynamics in Simulation and Experiment
Martin Gruebele
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2014)
Internal motions prime cIAP1 for rapid activation
Aaron H. Phillips et al.
NATURE STRUCTURAL & MOLECULAR BIOLOGY (2014)
Correlated motions are a fundamental property of β-sheets
R. Bryn Fenwick et al.
NATURE COMMUNICATIONS (2014)
Biological roles of cAMP: variations on a theme in the different kingdoms of life
Juana M. Gancedo
BIOLOGICAL REVIEWS (2013)
Emerging methods in protein co-evolution
David de Juan et al.
NATURE REVIEWS GENETICS (2013)
Coevolutionary signals across protein lineages help capture multiple protein conformations
Faruck Morcos et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2013)
NetworkView: 3D display and analysis of protein•RNA interaction networks
John Eargle et al.
BIOINFORMATICS (2012)
Magnesium Ion-Water Coordination and Exchange in Biomolecular Simulations
Olof Allner et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2012)
Metadynamics with Adaptive Gaussians
Davide Branduardi et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2012)
Discrete Molecular Dynamics: An Efficient And Versatile Simulation Method For Fine Protein Characterization
David Shirvanyants et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2012)
HHblits: lightning-fast iterative protein sequence searching by HMM-HMM alignment
Michael Remmert et al.
NATURE METHODS (2012)
Genomics-aided structure prediction
Joanna I. Sulkowska et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2012)
Direct-coupling analysis of residue coevolution captures native contacts across many protein families
Faruck Morcos et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2011)
Discrete molecular dynamics
Elizabeth A. Proctor et al.
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2011)
Metadynamics
Alessandro Barducci et al.
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2011)
Improved side-chain torsion potentials for the Amber ff99SB protein force field
Kresten Lindorff-Larsen et al.
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS (2010)
Structural Basis for Inhibition of Mammalian Adenylyl Cyclase by Calcium
Tung-Chung Mou et al.
BIOCHEMISTRY (2009)
The role of dynamic conformational ensembles in biomolecular recognition
David D. Boehr et al.
NATURE CHEMICAL BIOLOGY (2009)
Identification of direct residue contacts in protein-protein interaction by message passing
Martin Weigt et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2009)
Dynamical networks in tRNA: protein complexes
Anurag Sethi et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2009)
Versatility of signal transduction encoded in dimeric adenylyl cyclases
Juergen U. Linder et al.
CURRENT OPINION IN STRUCTURAL BIOLOGY (2008)
United-Atom Discrete Molecular Dynamics of Proteins Using Physics-Based Potentials
Agusti Emperador et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2008)
P-LINCS: A parallel linear constraint solver for molecular simulation
Berk Hess
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2008)
GROMACS 4: Algorithms for highly efficient, load-balanced, and scalable molecular simulation
Berk Hess et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2008)
Allosteric regulation and catalysis emerge via a common route
Nina M. Goodey et al.
NATURE CHEMICAL BIOLOGY (2008)
Well-tempered metadynamics: A smoothly converging and tunable free-energy method
Alessandro Barducci et al.
PHYSICAL REVIEW LETTERS (2008)
From A to B in free energy space
Davide Branduardi et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Canonical sampling through velocity rescaling
Giovanni Bussi et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Broad specificity of mammalian adenylyl cyclase for interaction with 2′,3′-substituted purine- and pyrimidine nucleotide inhibitors
Tung-Chung Mou et al.
MOLECULAR PHARMACOLOGY (2006)
Molecular dynamics and protein function
M Karplus et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2005)
Structure and flexibility adaptation in nonspecific and specific protein-DNA complexes
CG Kalodimos et al.
SCIENCE (2004)
Development of polyphosphate parameters for use with the AMBER force field
KL Meagher et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2003)
Evolutionarily conserved networks of residues mediate allosteric communication in proteins
GM Suel et al.
NATURE STRUCTURAL BIOLOGY (2003)
Escaping free-energy minima
A Laio et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2002)
Molecular dynamics simulations of biomolecules
M Karplus et al.
NATURE STRUCTURAL BIOLOGY (2002)
Mechanism of Gαi-mediated inhibition of type V adenylyl cyclase
CW Dessauer et al.
JOURNAL OF BIOLOGICAL CHEMISTRY (2002)
Molecular basis for P-site inhibition of adenylyl cyclase
JJG Tesmer et al.
BIOCHEMISTRY (2000)
分享论文
