This is a review. Non-electrolytic compounds typically cross cell membranes by passive diffusion. The rate of permeation is dependent on the chemical properties of the solute and …
A software framework is introduced that facilitates the application of biasing algorithms to collective variables of the type commonly employed to drive massively parallel molecular …
S Rauscher, R Pomès - Elife, 2017 - elifesciences.org
The protein elastin imparts extensibility, elastic recoil, and resilience to tissues including arterial walls, skin, lung alveoli, and the uterus. Elastin and elastin-like peptides are …
M Orozco - Chemical Society Reviews, 2014 - pubs.rsc.org
Proteins are fascinating supramolecular structures, which are able to recognize ligands transforming binding information into chemical signals. They can transfer information across …
Nanoparticles are promising drug delivery systems whose selection and optimization can be gainfully conducted by theoretical methods. This review is targeted to experimentalists who …
C Neale, R Pomès - Biochimica et Biophysica Acta (BBA)-Biomembranes, 2016 - Elsevier
Free energy simulations are a powerful tool for evaluating the interactions of molecular solutes with lipid bilayers as mimetics of cellular membranes. However, these simulations …
C Martinotti, L Ruiz‐Perez, E Deplazes… - …, 2020 - Wiley Online Library
Cell membranes protect and compartmentalise cells and their organelles. The semi‐ permeable nature of these membranes controls the exchange of solutes across their …
AC Pan, TM Weinreich, S Piana… - Journal of chemical …, 2016 - ACS Publications
Molecular dynamics (MD) simulations can describe protein motions in atomic detail, but transitions between protein conformational states sometimes take place on time scales that …
S Rauscher, R Pomès - Fuzziness: Structural disorder in protein …, 2012 - Springer
An emerging class of disordered proteins underlies the elasticity of many biological tissues. Elastomeric proteins are essential to the function of biological machinery as diverse as the …