A5088878665- Genomics and Chromatin Dynamics
- RNA Research and Splicing
- RNA modifications and cancer
- Strong Light-Matter Interactions
- RNA and protein synthesis mechanisms
- Quantum Electrodynamics and Casimir Effect
- Complex Network Analysis Techniques
- Gene Regulatory Network Analysis
- Photosynthetic Processes and Mechanisms
- Photoreceptor and optogenetics research
- Machine Learning in Materials Science
- Mental Health Research Topics
- Thermal Radiation and Cooling Technologies
- Protein Degradation and Inhibitors
- Crystallization and Solubility Studies
- Computational Drug Discovery Methods
- Light effects on plants
- Spectroscopy and Quantum Chemical Studies
- Mechanical and Optical Resonators
University of Cambridge
2020-2025
Abstract Liquid–liquid phase separation (LLPS) is an important mechanism that helps explain the membraneless compartmentalization of nucleus. Because chromatin compaction and LLPS are collective phenomena, linking their modulation to physicochemical features nucleosomes challenging. Here, we develop advanced multiscale model—integrating atomistic representations, a chemically-specific coarse-grained model, minimal model—to resolve individual within sub-Mb domains phase-separated systems. To...
This study investigates the energy landscapes of amyloid monomers, which are crucial for understanding protein misfolding mechanisms in Alzheimer's disease. While proteins possess inherent thermodynamic stability, environmental factors can induce deviations from native folding pathways, leading to and aggregation, phenomena closely linked solubility. Using UNOPTIM program, integrates UNRES potential into Cambridge landscape framework, we conducted single-ended transition state searches...
Polariton chemistry holds promise for facilitating mode-selective chemical reactions, but the underlying mechanism behind rate modifications observed under strong vibrational coupling is not well understood. Using recently developed quantum transition path theory, we have uncovered a of resonant suppression thermal reaction in simple model polaritonic system consisting reactive mode bath confined to lossless microcavity with single photon mode. We formation polariton during rate-limiting...
Photosystem II (PSII) has the unique ability to perform water-splitting. With light-harvesting complexes, it forms PSII supercomplex (PSII-SC) which is a functional unit that can efficient energy conversion, as well photoprotection, allowing photosynthetic organisms adapt naturally fluctuating sunlight intensity. Achieving these functions requires collaborative transfer network between all subunits of PSII-SC. In this work, we kinetic analyses and characterise landscape PSII-SC with...
Discrete state Markov chains in discrete or continuous time are widely used to model phenomena the social, physical and life sciences. In many cases, can feature a large space, with extreme differences between fastest slowest transition timescales. Analysis of such ill-conditioned models is often intractable finite precision linear algebra techniques. this contribution, we propose solution problem, namely partial graph transformation, iteratively eliminate renormalize states, producing...
In this contribution we consider theory and associated computational tools to treat the kinetics with competing pathways on multifunnel energy landscapes. Multifunnel landscapes are molecular switches multifunctional materials, expected exhibit multiple relaxation time scales thermodynamic signatures in heat capacity. Our focus here is first passage distribution, which encoded a kinetic transition network containing all locally stable states between them. This can be renormalised reduce...
ABSTRACT Liquid–liquid phase separation (LLPS) of chromatin is an important mechanism that helps explain the membrane-less compartmentalization nucleus. Because compaction and LLPS are collective phenomena, linking their modulation to biophysical features individual nucleosomes challenging. Here, we develop a novel multiscale model integrates atomistic representations, chemically-specific coarse-grained model, minimal model. In tandem, devise transferable Debye-length exchange molecular...
Polariton chemistry holds promise for facilitating mode-selective chemical reactions, but the underlying mechanism behind rate modifications observed under vibrational strong coupling is not well understood. Using recently developed quantum transition path theory, we have uncovered a of resonant suppression thermal reaction in simple model polaritonic system, consisting reactive mode bath confined to lossless microcavity with single photon mode. This was by resolving dynamical pathways and...