Physics-driven coarse-grained model for biomolecular phase separation with near-quantitative accuracy
Various physics-and data-driven sequence-dependent protein coarse-grained models have
been developed to study biomolecular phase separation and elucidate the dominant …
been developed to study biomolecular phase separation and elucidate the dominant …
[HTML][HTML] Phase diagrams—Why they matter and how to predict them
PY Chew, A Reinhardt - The Journal of Chemical Physics, 2023 - pubs.aip.org
Understanding the thermodynamic stability and metastability of materials can help us to, for
example, gauge whether crystalline polymorphs in pharmaceutical formulations are likely to …
example, gauge whether crystalline polymorphs in pharmaceutical formulations are likely to …
Reentrant liquid condensate phase of proteins is stabilized by hydrophobic and non-ionic interactions
Many cellular proteins demix spontaneously from solution to form liquid condensates. These
phase-separated structures have wide-ranging roles in health and disease. Elucidating the …
phase-separated structures have wide-ranging roles in health and disease. Elucidating the …
Aging can transform single-component protein condensates into multiphase architectures
A Garaizar, JR Espinosa, JA Joseph… - Proceedings of the …, 2022 - National Acad Sciences
Phase-separated biomolecular condensates that contain multiple coexisting phases are
widespread in vitro and in cells. Multiphase condensates emerge readily within …
widespread in vitro and in cells. Multiphase condensates emerge readily within …
Liquid network connectivity regulates the stability and composition of biomolecular condensates with many components
JR Espinosa, JA Joseph… - Proceedings of the …, 2020 - National Acad Sciences
One of the key mechanisms used by cells to control the spatiotemporal organization of their
many components is the formation and dissolution of biomolecular condensates through …
many components is the formation and dissolution of biomolecular condensates through …
[HTML][HTML] Nucleosome plasticity is a critical element of chromatin liquid–liquid phase separation and multivalent nucleosome interactions
Liquid–liquid phase separation (LLPS) is an important mechanism that helps explain the
membraneless compartmentalization of the nucleus. Because chromatin compaction and …
membraneless compartmentalization of the nucleus. Because chromatin compaction and …
Seeding approach to crystal nucleation
We present a study of homogeneous crystal nucleation from metastable fluids via the
seeding technique for four different systems: mW water, Tosi-Fumi NaCl, Lennard-Jones …
seeding technique for four different systems: mW water, Tosi-Fumi NaCl, Lennard-Jones …
[HTML][HTML] Automated discovery of a robust interatomic potential for aluminum
Abstract Machine learning, trained on quantum mechanics (QM) calculations, is a powerful
tool for modeling potential energy surfaces. A critical factor is the quality and diversity of the …
tool for modeling potential energy surfaces. A critical factor is the quality and diversity of the …
[HTML][HTML] Thermodynamics and kinetics of phase separation of protein-RNA mixtures by a minimal model
Intracellular liquid-liquid phase separation enables the formation of biomolecular
condensates, such as ribonucleoprotein granules, which play a crucial role in the …
condensates, such as ribonucleoprotein granules, which play a crucial role in the …
Consensus on the solubility of NaCl in water from computer simulations using the chemical potential route
The solubility of NaCl in water is evaluated by using three force field models: Joung–
Cheatham for NaCl dissolved in two different water models (SPC/E and TIP4P/2005) and …
Cheatham for NaCl dissolved in two different water models (SPC/E and TIP4P/2005) and …