Memory unlocks the future of biomolecular dynamics: Transformative tools to uncover physical insights accurately and efficiently
Conformational changes underpin function and encode complex biomolecular mechanisms.
Gaining atomic-level detail of how such changes occur has the potential to reveal these …
Gaining atomic-level detail of how such changes occur has the potential to reveal these …
[PDF][PDF] Augur: a decentralized, open-source platform for prediction markets
Augur is a trustless, decentralized platform for prediction markets. It is an extension of Bitcoin
Core's source code which preserves as much of Bitcoin's proven code and security as …
Core's source code which preserves as much of Bitcoin's proven code and security as …
Gene expression model inference from snapshot RNA data using Bayesian non-parametrics
Gene expression models, which are key towards understanding cellular regulatory
response, underlie observations of single-cell transcriptional dynamics. Although RNA …
response, underlie observations of single-cell transcriptional dynamics. Although RNA …
Integrative generalized master equation: A method to study long-timescale biomolecular dynamics via the integrals of memory kernels
The generalized master equation (GME) provides a powerful approach to study
biomolecular dynamics via non-Markovian dynamic models built from molecular dynamics …
biomolecular dynamics via non-Markovian dynamic models built from molecular dynamics …
Single-photon smFRET. I: Theory and conceptual basis
We present a unified conceptual framework and the associated software package for single-
molecule Förster resonance energy transfer (smFRET) analysis from single-photon arrivals …
molecule Förster resonance energy transfer (smFRET) analysis from single-photon arrivals …
[HTML][HTML] Single-photon smFRET: II. Application to continuous illumination
Here we adapt the Bayesian nonparametrics (BNP) framework presented in the first
companion article to analyze kinetics from single-photon, single-molecule Förster resonance …
companion article to analyze kinetics from single-photon, single-molecule Förster resonance …
Generalized Langevin equation as a model for barrier crossing dynamics in biomolecular folding
Conformational memory in single-molecule dynamics has attracted recent attention and, in
particular, has been invoked as a possible explanation of some of the intriguing properties of …
particular, has been invoked as a possible explanation of some of the intriguing properties of …
Tutorial on how to build non-Markovian dynamic models from molecular dynamics simulations for studying protein conformational changes
Protein conformational changes play crucial roles in their biological functions. In recent
years, the Markov State Model (MSM) constructed from extensive Molecular Dynamics (MD) …
years, the Markov State Model (MSM) constructed from extensive Molecular Dynamics (MD) …
Extraction of rapid kinetics from smFRET measurements using integrative detectors
Summary Hidden Markov models (HMMs) are used to learn single-molecule kinetics across
a range of experimental techniques. By their construction, HMMs assume that single …
a range of experimental techniques. By their construction, HMMs assume that single …
[HTML][HTML] Non-Markov models of single-molecule dynamics from information-theoretical analysis of trajectories
Whether single-molecule trajectories, observed experimentally or in molecular simulations,
can be described using simple models such as biased diffusion is a subject of considerable …
can be described using simple models such as biased diffusion is a subject of considerable …