An exploration of the unanswered questions in how the molecular chaperone Hsp90 supports protein homeostasis, and how single-molecule techniques could drive future breakthroughs in answering them.

Iron, the most abundant element by mass on Earth, reveals a fascinating complexity under extreme conditions of temperature ...

This study provides a methodological report on a modified adaptive sampling approach, multiple walker supervised molecular dynamics (mwSuMD), and its application ... This might explain why the RMSD of ...

With just a few lines of mBuild code, you can assemble reusable components into complex molecular systems for molecular dynamics simulations. mBuild is designed to minimize or even eliminate the need ...

Department of Theoretical Biophysics, Max Planck Institute of Biophysics, Max-von-Laue-Straße 3, 60438 Frankfurt am Main, Germany IMPRS on Cellular Biophysics, Max Planck Institute of Biophysics, ...

School of Chemical and Bioprocess Engineering, University College Dublin, Belfield D04 V1W8, Ireland School of Biological Sciences, Queen’s University Belfast, Belfast BT9 5DL, Northern Ireland, U.K.

Currently employed computational methods to simulate materials and their mechanical behavior are based on molecular dynamics (MD) with atomistic ... in molecular simulations of materials under ...

A novel computational technique has been created to study high-density neutron matter in neutron stars, aiding in more accurate supernova simulations and offering new insights into neutrino behavior.

VIAMD is an interactive analysis tool for molecular dynamics (MD) written in C/C++. VIAMD is developed in collaboration with the Department for Media and Information Technology (LIU, Norrköping) and ...