From data to noise to data for mixing physics across temperatures with generative artificial intelligence
出版年份 2022 全文链接
标题
From data to noise to data for mixing physics across temperatures with generative artificial intelligence
作者
关键词
-
出版物
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
Volume 119, Issue 32, Pages -
出版商
Proceedings of the National Academy of Sciences
发表日期
2022-08-05
DOI
10.1073/pnas.2203656119
参考文献
相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。- Accelerating All-Atom Simulations and Gaining Mechanistic Understanding of Biophysical Systems through State Predictive Information Bottleneck
- (2022) Shams Mehdi et al. Journal of Chemical Theory and Computation
- Promoting transparency and reproducibility in enhanced molecular simulations
- (2019) NATURE METHODS
- The roles of structural dynamics in the cellular functions of RNAs
- (2019) Laura R. Ganser et al. NATURE REVIEWS MOLECULAR CELL BIOLOGY
- Boltzmann generators: Sampling equilibrium states of many-body systems with deep learning
- (2019) Frank Noé et al. SCIENCE
- RNA Structural Dynamics As Captured by Molecular Simulations: A Comprehensive Overview
- (2018) Jiří Šponer et al. CHEMICAL REVIEWS
- Metadynamics Enhanced Markov Modeling of Protein Dynamics
- (2018) Mithun Biswas et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Structural mechanism for HIV-1 TAR loop recognition by Tat and the super elongation complex
- (2018) Ursula Schulze-Gahmen et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- CHARMM36m: an improved force field for folded and intrinsically disordered proteins
- (2016) Jing Huang et al. NATURE METHODS
- Enhanced Conformational Sampling Using Replica Exchange with Collective-Variable Tempering
- (2015) Alejandro Gil-Ley et al. Journal of Chemical Theory and Computation
- Extended Hamiltonian approach to continuous tempering
- (2015) Gianpaolo Gobbo et al. PHYSICAL REVIEW E
- Highly sampled tetranucleotide and tetraloop motifs enable evaluation of common RNA force fields
- (2015) Christina Bergonzo et al. RNA
- Enhanced Sampling in Molecular Dynamics Using Metadynamics, Replica-Exchange, and Temperature-Acceleration
- (2013) Cameron Abrams et al. Entropy
- Replica exchange and expanded ensemble simulations as Gibbs sampling: Simple improvements for enhanced mixing
- (2011) John D. Chodera et al. JOURNAL OF CHEMICAL PHYSICS
- Replica Exchange with Solute Scaling: A More Efficient Version of Replica Exchange with Solute Tempering (REST2)
- (2011) Lingle Wang et al. JOURNAL OF PHYSICAL CHEMISTRY B
- A Connection Between Score Matching and Denoising Autoencoders
- (2011) Pascal Vincent NEURAL COMPUTATION
- Generalized Replica Exchange Method
- (2010) Jaegil Kim et al. JOURNAL OF CHEMICAL PHYSICS
- Replica exchange with nonequilibrium switches
- (2009) A. J. Ballard et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Statistically optimal analysis of samples from multiple equilibrium states
- (2008) Michael R. Shirts et al. JOURNAL OF CHEMICAL PHYSICS
Publish scientific posters with Peeref
Peeref publishes scientific posters from all research disciplines. Our Diamond Open Access policy means free access to content and no publication fees for authors.
Learn MoreBecome a Peeref-certified reviewer
The Peeref Institute provides free reviewer training that teaches the core competencies of the academic peer review process.
Get Started