Covalent mechanochemistry: theoretical concepts and computational tools with applications to molecular nanomechanics
J Ribas-Arino, D Marx - Chemical reviews, 2012 - ACS Publications
In the following section, we will recapitulate selected experimental milestones through the
eyes of the theoretician, which, in our opinion, significantly advanced the field of covalent …
eyes of the theoretician, which, in our opinion, significantly advanced the field of covalent …
Steering chemical reactions with force
S Garcia-Manyes, AEM Beedle - Nature Reviews Chemistry, 2017 - nature.com
Chemical reactivity underlies our fundamental understanding of many physical and
biological phenomena. Chemical reactions are typically initiated by heat, electric current or …
biological phenomena. Chemical reactions are typically initiated by heat, electric current or …
Force dependency of biochemical reactions measured by single-molecule force-clamp spectroscopy
Here we describe a protocol for using force-clamp spectroscopy to precisely quantify the
effect of force on biochemical reactions. A calibrated force is used to control the exposure of …
effect of force on biochemical reactions. A calibrated force is used to control the exposure of …
Atomistic and continuum modelling of temperature-dependent fracture of graphene
This paper presents a comprehensive molecular dynamics study on the effects of
nanocracks (a row of vacancies) on the fracture strength of graphene sheets at various …
nanocracks (a row of vacancies) on the fracture strength of graphene sheets at various …
Single-molecule approaches to characterizing kinetics of biomolecular interactions
AM Van Oijen - Current opinion in biotechnology, 2011 - Elsevier
Single-molecule fluorescence techniques have emerged as powerful tools to study
biological processes at the molecular level. This review describes the application of these …
biological processes at the molecular level. This review describes the application of these …
The Janus-faced role of external forces in mechanochemical disulfide bond cleavage
P Dopieralski, J Ribas-Arino, P Anjukandi… - Nature …, 2013 - nature.com
Recent force microscopy measurements on the mechanically activated cleavage of a protein
disulfide bond through reaction with hydroxide ions revealed that for forces greater than 0.5 …
disulfide bond through reaction with hydroxide ions revealed that for forces greater than 0.5 …
Non-ergodicity of a globular protein extending beyond its functional timescale
Internal motions of folded proteins have been assumed to be ergodic, ie, that the dynamics
of a single protein molecule averaged over a very long time resembles that of an ensemble …
of a single protein molecule averaged over a very long time resembles that of an ensemble …
Molecular dynamics simulations and continuum modeling of temperature and strain rate dependent fracture strength of graphene with vacancy defects
MAN Dewapriya, R Rajapakse - Journal of Applied …, 2014 - asmedigitalcollection.asme.org
We investigated the temperature and strain rate dependent fracture strength of defective
graphene using molecular dynamics and an atomistic model. This atomistic model was …
graphene using molecular dynamics and an atomistic model. This atomistic model was …
Direct observation of chaperone-modulated talin mechanics with single-molecule resolution
Talin as a critical focal adhesion mechanosensor exhibits force-dependent folding dynamics
and concurrent interactions. Being a cytoplasmic protein, talin also might interact with …
and concurrent interactions. Being a cytoplasmic protein, talin also might interact with …
Protein nanomechanics in biological context
J Alegre-Cebollada - Biophysical Reviews, 2021 - Springer
How proteins respond to pulling forces, or protein nanomechanics, is a key contributor to the
form and function of biological systems. Indeed, the conventional view that proteins are able …
form and function of biological systems. Indeed, the conventional view that proteins are able …