标题
A new class of enhanced kinetic sampling methods for building Markov state models
作者
关键词
-
出版物
JOURNAL OF CHEMICAL PHYSICS
Volume 147, Issue 15, Pages 152702
出版商
AIP Publishing
发表日期
2017-06-06
DOI
10.1063/1.4984932
参考文献
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注意：仅列出部分参考文献，下载原文获取全部文献信息。- Time-Dependent Markov State Models for Single Molecule Force Spectroscopy
- (2017) Susmita Ghosh et al. Journal of Chemical Theory and Computation
- Estimating Arrhenius parameters using temperature programmed molecular dynamics
- (2016) Venkataramana Imandi et al. JOURNAL OF CHEMICAL PHYSICS
- Uncertainty in a Markov state model with missing states and rates: Application to a room temperature kinetic model obtained using high temperature molecular dynamics
- (2015) Abhijit Chatterjee et al. JOURNAL OF CHEMICAL PHYSICS
- Reconstructing Folding Energy Landscapes by Single-Molecule Force Spectroscopy
- (2014) Michael T. Woodside et al. Annual Review of Biophysics
- Molecular dynamics saddle search adaptive kinetic Monte Carlo
- (2014) Samuel T. Chill et al. JOURNAL OF CHEMICAL PHYSICS
- Accelerating rare events while overcoming the low-barrier problem using a temperature program
- (2014) Srikanth Divi et al. JOURNAL OF CHEMICAL PHYSICS
- Perspective: Markov models for long-timescale biomolecular dynamics
- (2014) C. R. Schwantes et al. JOURNAL OF CHEMICAL PHYSICS
- Seeking kinetic pathways relevant to the structural evolution of metal nanoparticles
- (2014) Paramita Haldar et al. MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING
- Accuracy of a Markov state model generated by searching for basin escape pathways
- (2013) Vijesh J. Bhute et al. JOURNAL OF CHEMICAL PHYSICS
- Building a kinetic Monte Carlo model with a chosen accuracy
- (2013) Vijesh J. Bhute et al. JOURNAL OF CHEMICAL PHYSICS
- Identification of slow molecular order parameters for Markov model construction
- (2013) Guillermo Pérez-Hernández et al. JOURNAL OF CHEMICAL PHYSICS
- Learning Kinetic Distance Metrics for Markov State Models of Protein Conformational Dynamics
- (2013) Robert T. McGibbon et al. Journal of Chemical Theory and Computation
- 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
- Improved coarse-graining of Markov state models via explicit consideration of statistical uncertainty
- (2012) Gregory R. Bowman JOURNAL OF CHEMICAL PHYSICS
- Free Energy Guided Sampling
- (2012) Ting Zhou et al. Journal of Chemical Theory and Computation
- EMMA: A Software Package for Markov Model Building and Analysis
- (2012) Martin Senne et al. Journal of Chemical Theory and Computation
- Distribution of Reciprocal of Interatomic Distances: A Fast Structural Metric
- (2012) Ting Zhou et al. Journal of Chemical Theory and Computation
- Optimization of the Additive CHARMM All-Atom Protein Force Field Targeting Improved Sampling of the Backbone ϕ, ψ and Side-Chain χ1 and χ2 Dihedral Angles
- (2012) Robert B. Best et al. Journal of Chemical Theory and Computation
- Evaluation and Optimization of Discrete State Models of Protein Folding
- (2012) Elizabeth H. Kellogg et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Estimating the Eigenvalue Error of Markov State Models
- (2012) Natasa Djurdjevac et al. MULTISCALE MODELING & SIMULATION
- An off-lattice, self-learning kinetic Monte Carlo method using local environments
- (2011) Dhrubajit Konwar et al. JOURNAL OF CHEMICAL PHYSICS
- Markov state models based on milestoning
- (2011) Christof Schütte et al. JOURNAL OF CHEMICAL PHYSICS
- Markov models of molecular kinetics: Generation and validation
- (2011) Jan-Hendrik Prinz et al. JOURNAL OF CHEMICAL PHYSICS
- MSMBuilder2: Modeling Conformational Dynamics on the Picosecond to Millisecond Scale
- (2011) Kyle A. Beauchamp et al. Journal of Chemical Theory and Computation
- Modelling proteins: Conformational sampling and reconstruction of folding kinetics
- (2010) Konstantin Klenin et al. BIOCHIMICA ET BIOPHYSICA ACTA-PROTEINS AND PROTEOMICS
- Accurate acceleration of kinetic Monte Carlo simulations through the modification of rate constants
- (2010) Abhijit Chatterjee et al. JOURNAL OF CHEMICAL PHYSICS
- Everything you wanted to know about Markov State Models but were afraid to ask
- (2010) Vijay S. Pande et al. METHODS
- On the Approximation Quality of Markov State Models
- (2010) Marco Sarich et al. MULTISCALE MODELING & SIMULATION
- Bayesian Single-Exponential Kinetics in Single-Molecule Experiments and Simulations
- (2009) Daniel L. Ensign et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Using generalized ensemble simulations and Markov state models to identify conformational states
- (2009) Gregory R. Bowman et al. METHODS
- Estimating the sampling error: Distribution of transition matrices and functions of transition matrices for given trajectory data
- (2009) Philipp Metzner et al. PHYSICAL REVIEW E
- Rapid equilibrium sampling initiated from nonequilibrium data
- (2009) X. Huang et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Molecular simulations of protein dynamics: new windows on mechanisms in biology
- (2008) Guy G Dodson et al. EMBO REPORTS
- Adaptive kinetic Monte Carlo for first-principles accelerated dynamics
- (2008) Lijun Xu et al. JOURNAL OF CHEMICAL PHYSICS
- Finding Transition Pathways Using the String Method with Swarms of Trajectories
- (2008) Albert C. Pan et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Coarse Master Equations for Peptide Folding Dynamics†
- (2008) Nicolae-Viorel Buchete et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Metadynamics: a method to simulate rare events and reconstruct the free energy in biophysics, chemistry and material science
- (2008) Alessandro Laio et al. REPORTS ON PROGRESS IN PHYSICS
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