Multiscale Simulations of Biological Membranes: The Challenge To Understand Biological Phenomena in a Living Substance
Sign Up to like & getrecommendations! Published in 2019 at "Chemical Reviews"
DOI: 10.1021/acs.chemrev.8b00538
Abstract: Biological membranes are tricky to investigate. They are complex in terms of molecular composition and structure, functional over a wide range of time scales, and characterized by nonequilibrium conditions. Because of all of these features,… read more here.
Keywords: multiscale simulations; biological membranes; simulations biological; challenge understand ... See more keywords
Best Practices on QM/MM Simulations of Biological Systems
Sign Up to like & getrecommendations! Published in 2023 at "Journal of chemical information and modeling"
DOI: 10.1021/acs.jcim.2c01522
Abstract: During the second half of the 20th century, following structural biology hallmark works on DNA and proteins, biochemists shifted their questions from "what does this molecule look like?" to "how does this process work?". Prompted… read more here.
Keywords: biological systems; best practices; chemistry; practices simulations ... See more keywords