Water determines the structure and dynamics of proteins

MC Bellissent-Funel, A Hassanali, M Havenith… - Chemical …, 2016 - ACS Publications
Water is an essential participant in the stability, structure, dynamics, and function of proteins
and other biomolecules. Thermodynamically, changes in the aqueous environment affect …

Water dynamics in the hydration shells of biomolecules

D Laage, T Elsaesser, JT Hynes - Chemical Reviews, 2017 - ACS Publications
The structure and function of biomolecules are strongly influenced by their hydration shells.
Structural fluctuations and molecular excitations of hydrating water molecules cover a broad …

Effects of molecular crowding on the structures, interactions, and functions of nucleic acids

S Nakano, D Miyoshi, N Sugimoto - Chemical reviews, 2014 - ACS Publications
Nucleic acids are excellent at recognizing complementary sequences through the formation
of Watson− Crick base pairs. Since the base pairing enables the highly selective …

Biomolecular interactions modulate macromolecular structure and dynamics in atomistic model of a bacterial cytoplasm

I Yu, T Mori, T Ando, R Harada, J Jung, Y Sugita… - Elife, 2016 - elifesciences.org
Biological macromolecules function in highly crowded cellular environments. The structure
and dynamics of proteins and nucleic acids are well characterized in vitro, but in vivo …

Simulation studies of amyloidogenic polypeptides and their aggregates

IM Ilie, A Caflisch - Chemical reviews, 2019 - ACS Publications
Amyloids, fibrillar assembly of (poly) peptide chains, are associated with neurodegenerative
illnesses such as Alzheimer's and Parkinson's diseases, for which there are no cures. The …

Molecular crowding: the history and development of a scientific paradigm

C Alfano, Y Fichou, K Huber, M Weiss, E Spruijt… - Chemical …, 2024 - ACS Publications
It is now generally accepted that macromolecules do not act in isolation but “live” in a
crowded environment, that is, an environment populated by numerous different molecules …

Crowding in cellular environments at an atomistic level from computer simulations

M Feig, I Yu, P Wang, G Nawrocki… - The Journal of Physical …, 2017 - ACS Publications
The effects of crowding in biological environments on biomolecular structure, dynamics, and
function remain not well understood. Computer simulations of atomistic models of …

Soft interactions and crowding

M Sarkar, C Li, GJ Pielak - Biophysical reviews, 2013 - Springer
The intracellular milieu is complex, heterogeneous and crowded—an environment vastly
different from dilute solutions in which most biophysical studies are performed. The crowded …

Molecular crowding: Physiologic sensing and control

AR Subramanya… - Annual Review of …, 2024 - annualreviews.org
The cytoplasm is densely packed with molecules that contribute to its nonideal behavior.
Cytosolic crowding influences chemical reaction rates, intracellular water mobility, and …

Stability prediction of canonical and non-canonical structures of nucleic acids in various molecular environments and cells

S Takahashi, N Sugimoto - Chemical Society Reviews, 2020 - pubs.rsc.org
Nucleic acids (DNA and RNA) dynamically fold and unfold to exert their functions in cells.
These folding and unfolding behaviours are also the basis for various technical applications …