Local force and geometry sensing regulate cell functions

V Vogel, M Sheetz - Nature reviews Molecular cell biology, 2006 - nature.com
The shapes of eukaryotic cells and ultimately the organisms that they form are defined by
cycles of mechanosensing, mechanotransduction and mechanoresponse. Local sensing of …

Steered molecular dynamics and mechanical functions of proteins

B Isralewitz, M Gao, K Schulten - Current opinion in structural biology, 2001 - Elsevier
Atomic force microscopy of single molecules, steered molecular dynamics and the theory of
stochastic processes have established a new field that investigates mechanical functions of …

ForceGen: End-to-end de novo protein generation based on nonlinear mechanical unfolding responses using a language diffusion model

B Ni, DL Kaplan, MJ Buehler - Science Advances, 2024 - science.org
Through evolution, nature has presented a set of remarkable protein materials, including
elastins, silks, keratins and collagens with superior mechanical performances that play …

NAMD2: greater scalability for parallel molecular dynamics

L Kalé, R Skeel, M Bhandarkar, R Brunner… - Journal of …, 1999 - Elsevier
Molecular dynamics programs simulate the behavior of biomolecular systems, leading to
understanding of their functions. However, the computational complexity of such simulations …

[图书][B] The chemical bond in inorganic chemistry: the bond valence model

ID Brown - 2016 - books.google.com
The bond valence model, a description of acid-base bonding, is widely used for analysing
and modelling the structures and properties of solids and liquids. Unlike other models of …

Molecular mechanistic origin of the toughness of natural adhesives, fibres and composites

BL Smith, TE Schäffer, M Viani, JB Thompson… - Nature, 1999 - nature.com
Natural materials are renowned for their strength and toughness,,,,. Spider dragline silk has
a breakage energy per unit weight two orders of magnitude greater than high tensile steel …

Conformational transition of SARS-CoV-2 spike glycoprotein between its closed and open states

M Gur, E Taka, SZ Yilmaz, C Kilinc, U Aktas… - The Journal of chemical …, 2020 - pubs.aip.org
In 2020, the novel severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has
infected millions of people worldwide and caused the coronavirus disease 2019 (COVID …

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 …

Mechanical and chemical unfolding of a single protein: a comparison

M Carrion-Vazquez, AF Oberhauser… - Proceedings of the …, 1999 - National Acad Sciences
Is the mechanical unraveling of protein domains by atomic force microscopy (AFM) just a
technological feat or a true measurement of their unfolding? By engineering a protein made …

Persistent homology analysis of protein structure, flexibility, and folding

K Xia, GW Wei - International journal for numerical methods in …, 2014 - Wiley Online Library
Proteins are the most important biomolecules for living organisms. The understanding of
protein structure, function, dynamics, and transport is one of the most challenging tasks in …