A variational conformational dynamics approach to the selection of collective variables in metadynamics
出版年份 2017 全文链接
标题
A variational conformational dynamics approach to the selection of collective variables in metadynamics
作者
关键词
-
出版物
JOURNAL OF CHEMICAL PHYSICS
Volume 147, Issue 20, Pages 204109
出版商
AIP Publishing
发表日期
2017-11-30
DOI
10.1063/1.4998598
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。- Variational Koopman models: Slow collective variables and molecular kinetics from short off-equilibrium simulations
- (2017) Hao Wu et al. JOURNAL OF CHEMICAL PHYSICS
- tICA-Metadynamics: Accelerating Metadynamics by Using Kinetically Selected Collective Variables
- (2017) Mohammad M. Sultan et al. Journal of Chemical Theory and Computation
- Enhancing Important Fluctuations: Rare Events and Metadynamics from a Conceptual Viewpoint
- (2016) Omar Valsson et al. Annual Review of Physical Chemistry
- Spectral gap optimization of order parameters for sampling complex molecular systems
- (2016) Pratyush Tiwary et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Variational Approach to Molecular Kinetics
- (2014) Feliks Nüske et al. Journal of Chemical Theory and Computation
- A Time-Independent Free Energy Estimator for Metadynamics
- (2014) Pratyush Tiwary et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Variational Approach to Enhanced Sampling and Free Energy Calculations
- (2014) Omar Valsson et al. PHYSICAL REVIEW LETTERS
- Well-Tempered Metadynamics Converges Asymptotically
- (2014) James F. Dama et al. PHYSICAL REVIEW LETTERS
- PLUMED 2: New feathers for an old bird
- (2013) Gareth A. Tribello et al. COMPUTER PHYSICS COMMUNICATIONS
- Identification of slow molecular order parameters for Markov model construction
- (2013) Guillermo Pérez-Hernández et al. JOURNAL OF CHEMICAL PHYSICS
- Improvements in Markov State Model Construction Reveal Many Non-Native Interactions in the Folding of NTL9
- (2013) Christian R. Schwantes et al. Journal of Chemical Theory and Computation
- A Variational Approach to Modeling Slow Processes in Stochastic Dynamical Systems
- (2013) Frank Noé et al. MULTISCALE MODELING & SIMULATION
- From Metadynamics to Dynamics
- (2013) Pratyush Tiwary et al. PHYSICAL REVIEW LETTERS
- Markov models of molecular kinetics: Generation and validation
- (2011) Jan-Hendrik Prinz et al. JOURNAL OF CHEMICAL PHYSICS
- GROMACS 4: Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation
- (2008) Berk Hess et al. Journal of Chemical Theory and Computation
- Well-Tempered Metadynamics: A Smoothly Converging and Tunable Free-Energy Method
- (2008) Alessandro Barducci et al. PHYSICAL REVIEW LETTERS
Add your recorded webinar
Do you already have a recorded webinar? Grow your audience and get more views by easily listing your recording on Peeref.
Upload NowBecome a Peeref-certified reviewer
The Peeref Institute provides free reviewer training that teaches the core competencies of the academic peer review process.
Get Started