From structure and dynamics to biomolecular functions: The ubiquitous role of solvent in biology
Biological activity requires a solvent that can provide a suitable environment, which satisfies
the twin need for stability and the ability to change. Among all the solvents water plays the …
the twin need for stability and the ability to change. Among all the solvents water plays the …
Pair-reaction dynamics in water: competition of memory, potential shape, and inertial effects
FN Brünig, JO Daldrop, RR Netz - The Journal of Physical …, 2022 - ACS Publications
When described by a one-dimensional reaction coordinate, pair-reaction rates in a solvent
depend, in addition to the potential barrier height and the friction coefficient, on the potential …
depend, in addition to the potential barrier height and the friction coefficient, on the potential …
Thermodynamic forces from protein and water govern condensate formation of an intrinsically disordered protein domain
S Mukherjee, LV Schäfer - Nature Communications, 2023 - nature.com
Liquid-liquid phase separation (LLPS) can drive a multitude of cellular processes by
compartmentalizing biological cells via the formation of dense liquid biomolecular …
compartmentalizing biological cells via the formation of dense liquid biomolecular …
Spatially resolved hydration thermodynamics in biomolecular systems
S Mukherjee, LV Schäfer - The Journal of Physical Chemistry B, 2022 - ACS Publications
Water is essential for the structure, dynamics, energetics, and thus the function of
biomolecules. It is a formidable challenge to elicit, in microscopic detail, the role of the …
biomolecules. It is a formidable challenge to elicit, in microscopic detail, the role of the …
Anomalous Concentration Dependence of Viscosity: Hidden Role of Cross-Correlations in Aqueous Electrolyte Solutions
The viscosity of aqueous electrolyte solutions exhibits well-known composition-dependent
anomalies that show certain definitive trends and universal features. The viscosity of LiCl …
anomalies that show certain definitive trends and universal features. The viscosity of LiCl …
Entropy tug-of-war determines solvent effects in the liquid–liquid phase separation of a globular protein
Liquid–liquid phase separation (LLPS) plays a key role in the compartmentalization of cells
via the formation of biomolecular condensates. Here, we combined atomistic molecular …
via the formation of biomolecular condensates. Here, we combined atomistic molecular …
Effects of Proline on Internal Friction in Simulated Folding Dynamics of Several Alanine-Based α-Helical Peptides
A Świątek, K Kuczera… - The Journal of Physical …, 2024 - ACS Publications
We have studied in silico the effect of proline, a model cosolvent, on local and global friction
coefficients in (un) folding of several typical alanine-based α-helical peptides. Local friction …
coefficients in (un) folding of several typical alanine-based α-helical peptides. Local friction …
Probing adaptation of hydration and protein dynamics to temperature
LC Doan, JN Dahanayake, KR Mitchell-Koch… - Acs Omega, 2022 - ACS Publications
Protein dynamics is strongly influenced by the surrounding environment and physiological
conditions. Here we employ broadband megahertz-to-terahertz spectroscopy to explore the …
conditions. Here we employ broadband megahertz-to-terahertz spectroscopy to explore the …
Bimodal 1/f Noise and Anticorrelation between DNA-Water and DNA-Ion Energy Fluctuations
The coupling between the conformational fluctuations of DNA and its surrounding
environment, consisting of water and ions in solution, remains poorly understood and …
environment, consisting of water and ions in solution, remains poorly understood and …
Melting and Bubble Formation in a Double-Stranded DNA: Microscopic Aspects of Early Base-Pair Opening Events and the Role of Water
Despite its rigid structure, DNA is a remarkably flexible molecule. Flexibility is essential for
biological functions (such as transcription and gene repair), which require large-amplitude …
biological functions (such as transcription and gene repair), which require large-amplitude …