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July 2019 |
Can Non-Mechanical Proteins Withstand Force? Stretching Barnase by Atomic Force Microscopy and Molecular Dynamics Simulation
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October 2001 |
Time-Dependent Markov State Models for Single Molecule Force Spectroscopy
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February 2017 |
Dynamics of unbinding of cell adhesion molecules: Transition from catch to slip bonds
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February 2005 |
Ligand binding free-energy calculations with funnel metadynamics
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August 2020 |
Metadynamics with Adaptive Gaussians
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June 2012 |
Measuring mechanical tension across vinculin reveals regulation of focal adhesion dynamics
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July 2010 |
Heterogeneous and rate-dependent streptavidin–biotin unbinding revealed by high-speed force spectroscopy and atomistic simulations
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March 2019 |
Improved side-chain torsion potentials for the Amber ff99SB protein force field
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January 2010 |
The Mechanical World of Bacteria
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May 2015 |
Assessing the Reliability of the Dynamics Reconstructed from Metadynamics
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March 2014 |
Using metadynamics to explore complex free-energy landscapes
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March 2020 |
Stressing the limits of focal adhesion mechanosensitivity
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October 2014 |
Catch-bond mechanism of the bacterial adhesin FimH
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March 2016 |
An Introduction to the Bootstrap
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January 1993 |
Molecular Determinants and Bottlenecks in the Dissociation Dynamics of Biotin–Streptavidin
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November 2017 |
Promoting transparency and reproducibility in enhanced molecular simulations
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July 2019 |
Funnel metadynamics as accurate binding free-energy method
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April 2013 |
GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers
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September 2015 |
Perspective: Mechanochemistry of biological and synthetic molecules
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January 2016 |
Bacterial Mechanosensors
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February 2018 |
Theoretical Aspects of the Biological Catch Bond
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June 2009 |
Elasticity, structure, and relaxation of extended proteins under force
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February 2013 |
Can One Trust Kinetic and Thermodynamic Observables from Biased Metadynamics Simulations?: Detailed Quantitative Benchmarks on Millimolar Drug Fragment Dissociation
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April 2019 |
Ranking of Ligand Binding Kinetics Using a Weighted Ensemble Approach and Comparison with a Multiscale Milestoning Approach
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April 2020 |
The Two-Pathway Model of the Biological Catch-Bond as a Limit of the Allosteric Model
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October 2011 |
How and when does an anticancer drug leave its binding site?
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May 2017 |
PLUMED 2: New feathers for an old bird
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February 2014 |
Locating the Barrier for Folding of Single Molecules under an External Force
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journal
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November 2011 |
Development and testing of a general amber force field
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journal
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January 2004 |
Vinculin forms a directionally asymmetric catch bond with F-actin
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journal
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August 2017 |
Kinetics of protein–ligand unbinding: Predicting pathways, rates, and rate-limiting steps
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journal
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January 2015 |
On the role of solvent in hydrophobic cavity–ligand recognition kinetics
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journal
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February 2020 |
Infinite switch simulated tempering in force (FISST)
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June 2020 |
Kinetics and free energy of ligand dissociation using weighted ensemble milestoning
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October 2020 |
Spectral gap optimization of order parameters for sampling complex molecular systems
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February 2016 |
Evaluation of protein–ligand affinity prediction using steered molecular dynamics simulations
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November 2016 |
Molecular Paradigms for Biological Mechanosensing
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October 2021 |
Accurate sampling using Langevin dynamics
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May 2007 |
Mechanoregulated inhibition of formin facilitates contractile actomyosin ring assembly
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September 2017 |
Catch Bonds in Adhesion
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journal
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August 2008 |
SciPy 1.0: fundamental algorithms for scientific computing in Python
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February 2020 |
Frequency adaptive metadynamics for the calculation of rare-event kinetics
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August 2018 |
A molecular dynamics method for simulations in the canonical ensemble
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June 1984 |
Chemical reactions modulated by mechanical stress: Extended Bell theory
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October 2011 |
Well-Tempered Metadynamics: A Smoothly Converging and Tunable Free-Energy Method
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January 2008 |
Unbiased Molecular Dynamics of 11 min Timescale Drug Unbinding Reveals Transition State Stabilizing Interactions
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January 2018 |
Recent Advances and Emerging Challenges in the Molecular Modeling of Mechanobiological Processes
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February 2022 |
Resolving the molecular mechanism of cadherin catch bond formation
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June 2014 |
From Metadynamics to Dynamics
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December 2013 |
Polymorphic transitions in single crystals: A new molecular dynamics method
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December 1981 |
Three Weaknesses for Three Perturbations: Comparing Protein Unfolding Under Shear, Force, and Thermal Stresses
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November 2018 |
Streptavidin and its biotin complex at atomic resolution
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journal
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August 2011 |
Forcing cells into shape: the mechanics of actomyosin contractility
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July 2015 |
Theory, analysis, and interpretation of single-molecule force spectroscopy experiments
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October 2008 |
Environmental sensing through focal adhesions
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January 2009 |
Cell Junction Mechanics beyond the Bounds of Adhesion and Tension
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January 2021 |
Dissociation rates from single-molecule pulling experiments under large thermal fluctuations or large applied force
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April 2017 |
Models for the specific adhesion of cells to cells
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May 1978 |
Catch-Bond Mechanism of Force-Enhanced Adhesion: Counterintuitive, Elusive, but … Widespread?
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October 2008 |
A method for accelerating the molecular dynamics simulation of infrequent events
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March 1997 |
How hydrophobic drying forces impact the kinetics of molecular recognition
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July 2013 |
Evolving roles and dynamics for catch and slip bonds during adhesion cluster maturation
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March 2021 |
Biophysics of Catch Bonds
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June 2008 |
Phenomenological and microscopic theories for catch bonds
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January 2017 |
Escaping free-energy minima
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September 2002 |
Feeling the force: formin’s role in mechanotransduction
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February 2019 |
Role of water and steric constraints in the kinetics of cavity–ligand unbinding
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September 2015 |