Replica exchanging self-guided Langevin dynamics for efficient and accurate conformational sampling
出版年份 2012 全文链接
标题
Replica exchanging self-guided Langevin dynamics for efficient and accurate conformational sampling
作者
关键词
-
出版物
JOURNAL OF CHEMICAL PHYSICS
Volume 137, Issue 4, Pages 044106
出版商
AIP Publishing
发表日期
2012-07-25
DOI
10.1063/1.4737094
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。- Toward canonical ensemble distribution from self-guided Langevin dynamics simulation
- (2011) Xiongwu Wu et al. JOURNAL OF CHEMICAL PHYSICS
- Force-momentum-based self-guided Langevin dynamics: A rapid sampling method that approaches the canonical ensemble
- (2011) Xiongwu Wu et al. JOURNAL OF CHEMICAL PHYSICS
- A Hamiltonian replica exchange method for building protein–protein interfaces applied to a leucine zipper
- (2011) Robert I. Cukier JOURNAL OF CHEMICAL PHYSICS
- Characterizing the denatured state of human prion 121–230
- (2010) Cheng-I Lee et al. BIOPHYSICAL CHEMISTRY
- Generalized Replica Exchange Method
- (2010) Jaegil Kim et al. JOURNAL OF CHEMICAL PHYSICS
- Replica-exchange method in van der Waals radius space: Overcoming steric restrictions for biomolecules
- (2010) Satoru G. Itoh et al. JOURNAL OF CHEMICAL PHYSICS
- Replica exchange simulation method using temperature and solvent viscosity
- (2010) Phuong H. Nguyen JOURNAL OF CHEMICAL PHYSICS
- Protein Folding Simulations Combining Self-Guided Langevin Dynamics and Temperature-Based Replica Exchange
- (2010) Michael S. Lee et al. Journal of Chemical Theory and Computation
- Probing the Periplasmic-Open State of Lactose Permease in Response to Sugar Binding and Proton Translocation
- (2010) Pushkar Y. Pendse et al. JOURNAL OF MOLECULAR BIOLOGY
- An optimized replica exchange molecular dynamics method
- (2009) Hiqmet Kamberaj et al. JOURNAL OF CHEMICAL PHYSICS
- Simulated-tempering replica-exchange method for the multidimensional version
- (2009) Ayori Mitsutake JOURNAL OF CHEMICAL PHYSICS
- Replica exchange statistical temperature Monte Carlo
- (2009) Jaegil Kim et al. JOURNAL OF CHEMICAL PHYSICS
- Isotropic periodic sum of electrostatic interactions for polar systems
- (2009) Xiongwu Wu et al. JOURNAL OF CHEMICAL PHYSICS
- Improving replica exchange using driven scaling
- (2009) Alexis J. Lee et al. JOURNAL OF CHEMICAL PHYSICS
- Optimal replica exchange method combined with Tsallis weight sampling
- (2009) Jaegil Kim et al. JOURNAL OF CHEMICAL PHYSICS
- TIGER2: An improved algorithm for temperature intervals with global exchange of replicas
- (2009) Xianfeng Li et al. JOURNAL OF CHEMICAL PHYSICS
- Enhanced conformational sampling of nucleic acids by a new Hamiltonian replica exchange molecular dynamics approach
- (2009) Jeremy Curuksu et al. JOURNAL OF CHEMICAL PHYSICS
- Application of Multiplexed Replica Exchange Molecular Dynamics to the UNRES Force Field: Tests with α and α+β Proteins
- (2009) Cezary Czaplewski et al. Journal of Chemical Theory and Computation
- Using multistate free energy techniques to improve the efficiency of replica exchange accelerated molecular dynamics
- (2009) Mikolai Fajer et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- CHARMM: The biomolecular simulation program
- (2009) B. R. Brooks et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- Hamiltonian Replica Exchange Method Studies of a Leucine Zipper Dimer
- (2009) Li Su et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Simulated annealing coupled replica exchange molecular dynamics—An efficient conformational sampling method
- (2009) Srinivasaraghavan Kannan et al. JOURNAL OF STRUCTURAL BIOLOGY
- Microcanonical replica exchange molecular dynamics simulation of proteins
- (2009) Parimal Kar et al. PHYSICAL REVIEW E
- From multidimensional replica-exchange method to multidimensional multicanonical algorithm and simulated tempering
- (2009) Ayori Mitsutake et al. PHYSICAL REVIEW E
- Replica exchange with nonequilibrium switches
- (2009) A. J. Ballard et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Generalized ensemble methods for de novo structure prediction
- (2009) A. Shmygelska et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Self-guided Langevin dynamics study of regulatory interactions in NtrC
- (2009) Ana Damjanović et al. PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS
- Backbone Relaxation Coupled to the Ionization of Internal Groups in Proteins: A Self-Guided Langevin Dynamics Study
- (2008) Ana Damjanović et al. BIOPHYSICAL JOURNAL
- Multiple-Replica Exchange with Information Retrieval
- (2008) Manuel Athènes et al. CHEMPHYSCHEM
- Open Science Grid Study of the Coupling between Conformation and Water Content in the Interior of a Protein
- (2008) Ana Damjanović et al. Journal of Chemical Information and Modeling
- Using the isotropic periodic sum method to calculate long-range interactions of heterogeneous systems
- (2008) Xiongwu Wu et al. JOURNAL OF CHEMICAL PHYSICS
- New force replica exchange method and protein folding pathways probed by force-clamp technique
- (2008) Maksim Kouza et al. JOURNAL OF CHEMICAL PHYSICS
- Hamiltonian replica exchange molecular dynamics using soft-core interactions
- (2008) Jozef Hritz et al. JOURNAL OF CHEMICAL PHYSICS
- Implementation of a Serial Replica Exchange Method in a Physics-Based United-Residue (UNRES) Force Field
- (2008) Hujun Shen et al. Journal of Chemical Theory and Computation
- Replica-Exchange Accelerated Molecular Dynamics (REXAMD) Applied to Thermodynamic Integration
- (2008) Mikolai Fajer et al. Journal of Chemical Theory and Computation
- Optimized Explicit-Solvent Replica Exchange Molecular Dynamics from Scratch
- (2008) Walter Nadler et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Replica Exchange Molecular Dynamics Simulations of Coarse-grained Proteins in Implicit Solvent
- (2008) Yassmine Chebaro et al. JOURNAL OF PHYSICAL CHEMISTRY B
- All-atom replica exchange molecular simulation of protein BBL
- (2008) Jian Zhang et al. PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS
- Asynchronous replica exchange for molecular simulations
- (2007) Emilio Gallicchio et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
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 NowAsk a Question. Answer a Question.
Quickly pose questions to the entire community. Debate answers and get clarity on the most important issues facing researchers.
Get Started