Modelling proteins’ hidden conformations to predict antibiotic resistance
Published 2016 View Full Article
- Home
- Publications
- Publication Search
- Publication Details
Title
Modelling proteins’ hidden conformations to predict antibiotic resistance
Authors
Keywords
-
Journal
Nature Communications
Volume 7, Issue -, Pages 12965
Publisher
Springer Nature
Online
2016-10-06
DOI
10.1038/ncomms12965
References
Ask authors/readers for more resources
Related references
Note: Only part of the references are listed.- MDTraj: A Modern Open Library for the Analysis of Molecular Dynamics Trajectories
- (2015) Robert T. McGibbon et al. BIOPHYSICAL JOURNAL
- Evolvability as a Function of Purifying Selection in TEM-1 β-Lactamase
- (2015) Michael A. Stiffler et al. CELL
- PyEMMA 2: A Software Package for Estimation, Validation, and Analysis of Markov Models
- (2015) Martin K. Scherer et al. Journal of Chemical Theory and Computation
- Negative Epistasis and Evolvability in TEM-1 β-Lactamase—The Thin Line between an Enzyme's Conformational Freedom and Disorder
- (2015) Eynat Dellus-Gur et al. JOURNAL OF MOLECULAR BIOLOGY
- Discovery of multiple hidden allosteric sites by combining Markov state models and experiments
- (2015) Gregory R. Bowman et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Protein conformational plasticity and complex ligand-binding kinetics explored by atomistic simulations and Markov models
- (2015) Nuria Plattner et al. Nature Communications
- Allostery through the computational microscope: cAMP activation of a canonical signalling domain
- (2015) Robert D. Malmstrom et al. Nature Communications
- Markov State Models Reveal a Two-Step Mechanism of miRNA Loading into the Human Argonaute Protein: Selective Binding followed by Structural Re-arrangement
- (2015) Hanlun Jiang et al. PLoS Computational Biology
- Markov state models of biomolecular conformational dynamics
- (2014) John D Chodera et al. CURRENT OPINION IN STRUCTURAL BIOLOGY
- Ensemble-Based Docking Using Biased Molecular Dynamics
- (2014) Arthur J. Campbell et al. Journal of Chemical Information and Modeling
- Confidence limits, error bars and method comparison in molecular modeling. Part 1: The calculation of confidence intervals
- (2014) A. Nicholls JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
- Extensive Conformational Heterogeneity within Protein Cores
- (2014) Gregory R. Bowman et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Evolution of Conformational Dynamics Determines the Conversion of a Promiscuous Generalist into a Specialist Enzyme
- (2014) T. Zou et al. MOLECULAR BIOLOGY AND EVOLUTION
- The ensemble nature of allostery
- (2014) Hesam N. Motlagh et al. NATURE
- Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery
- (2014) Marcus Fischer et al. Nature Chemistry
- Cloud-based simulations on Google Exacycle reveal ligand modulation of GPCR activation pathways
- (2013) Kai J. Kohlhoff et al. Nature Chemistry
- The dark energy of proteins comes to light: conformational entropy and its role in protein function revealed by NMR relaxation
- (2012) A Joshua Wand CURRENT OPINION IN STRUCTURAL BIOLOGY
- Fast Photochemical Oxidation of Proteins and Mass Spectrometry Follow Submillisecond Protein Folding at the Amino-Acid Level
- (2012) Jiawei Chen et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Equilibrium fluctuations of a single folded protein reveal a multitude of potential cryptic allosteric sites
- (2012) G. R. Bowman et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Mass Spectrometry-Based Protein Footprinting Characterizes the Structures of Oligomeric Apolipoprotein E2, E3, and E4
- (2011) Brian Gau et al. BIOCHEMISTRY
- MSMBuilder2: Modeling Conformational Dynamics on the Picosecond to Millisecond Scale
- (2011) Kyle A. Beauchamp et al. Journal of Chemical Theory and Computation
- Complete reconstruction of an enzyme-inhibitor binding process by molecular dynamics simulations
- (2011) I. Buch et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- A Role for Both Conformational Selection and Induced Fit in Ligand Binding by the LAO Protein
- (2011) Daniel-Adriano Silva et al. PLoS Computational Biology
- Network models for molecular kinetics and their initial applications to human health
- (2010) Gregory R Bowman et al. CELL RESEARCH
- Fast Photochemical Oxidation of Protein Footprints Faster than Protein Unfolding
- (2009) Brian C. Gau et al. ANALYTICAL CHEMISTRY
- Updated Functional Classification of -Lactamases
- (2009) K. Bush et al. ANTIMICROBIAL AGENTS AND CHEMOTHERAPY
- Using generalized ensemble simulations and Markov state models to identify conformational states
- (2009) Gregory R. Bowman et al. METHODS
- Hidden alternative structures of proline isomerase essential for catalysis
- (2009) James S. Fraser et al. NATURE
- Rapid equilibrium sampling initiated from nonequilibrium data
- (2009) X. Huang et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Protein Dynamism and Evolvability
- (2009) N. Tokuriki et al. SCIENCE
- An improved relaxed complex scheme for receptor flexibility in computer-aided drug design
- (2008) Rommie E. Amaro et al. JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
- P-LINCS: A Parallel Linear Constraint Solver for Molecular Simulation
- (2007) Berk Hess Journal of Chemical Theory and Computation
Find the ideal target journal for your manuscript
Explore over 38,000 international journals covering a vast array of academic fields.
SearchAsk a Question. Answer a Question.
Quickly pose questions to the entire community. Debate answers and get clarity on the most important issues facing researchers.
Get Started