(Q45957121)

English

Simultaneous escaping of explicit and hidden free energy barriers: application of the orthogonal space random walk strategy in generalized ensemble based conformational sampling.

scientific article published in June 2009

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scholarly article

1 reference

Europe PubMed Central

PubMed publication ID

18 December 2017

http://europepmc.org/abstract/MED/19548709

Simultaneous escaping of explicit and hidden free energy barriers: application of the orthogonal space random walk strategy in generalized ensemble based conformational sampling. (English)

1 reference

Europe PubMed Central

PubMed publication ID

18 December 2017

http://europepmc.org/abstract/MED/19548709

author name string

Lianqing Zheng

1

1 reference

Europe PubMed Central

PubMed publication ID

18 December 2017

http://europepmc.org/abstract/MED/19548709

Mengen Chen

2

1 reference

Europe PubMed Central

PubMed publication ID

18 December 2017

http://europepmc.org/abstract/MED/19548709

Wei Yang

3

1 reference

Europe PubMed Central

PubMed publication ID

18 December 2017

http://europepmc.org/abstract/MED/19548709

language of work or name

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publication date

1 June 2009

1 reference

Europe PubMed Central

PubMed publication ID

18 December 2017

http://europepmc.org/abstract/MED/19548709

Journal of Chemical Physics

1 reference

Europe PubMed Central

PubMed publication ID

18 December 2017

http://europepmc.org/abstract/MED/19548709

130

1 reference

Europe PubMed Central

PubMed publication ID

18 December 2017

http://europepmc.org/abstract/MED/19548709

23

1 reference

Europe PubMed Central

PubMed publication ID

18 December 2017

http://europepmc.org/abstract/MED/19548709

234105

1 reference

Europe PubMed Central

PubMed publication ID

18 December 2017

http://europepmc.org/abstract/MED/19548709

Optimization of expanded ensemble methods

1 reference

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Well-Tempered Metadynamics: A Smoothly Converging and Tunable Free-Energy Method

1 reference

https://api.crossref.org/works/10.1063%2F1.3153841

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Escaping free-energy minima

1 reference

https://api.crossref.org/works/10.1063%2F1.3153841

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Replica exchange with solute tempering: efficiency in large scale systems

1 reference

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Optimizing the sampling and staging for simulations of rare events via forward flux sampling schemes

1 reference

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Replica exchange with solute tempering: a method for sampling biological systems in explicit water

1 reference

https://api.crossref.org/works/10.1063%2F1.3153841

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Random walk in orthogonal space to achieve efficient free-energy simulation of complex systems

1 reference

https://api.crossref.org/works/10.1063%2F1.3153841

21 January 2018

Simulated scaling method for localized enhanced sampling and simultaneous "alchemical" free energy simulations: a general method for molecular mechanical, quantum mechanical, and quantum mechanical/molecular mechanical simulations.

1 reference

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21 January 2018

A divide-and-conquer strategy to improve diffusion sampling in generalized ensemble simulations.

1 reference

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On the Theory of Electron‐Transfer Reactions. VI. Unified Treatment for Homogeneous and Electrode Reactions

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CHARMM: A program for macromolecular energy, minimization, and dynamics calculations

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All-atom empirical potential for molecular modeling and dynamics studies of proteins

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Accelerated molecular dynamics: a promising and efficient simulation method for biomolecules

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Quantitative computer simulations of biomolecules: A snapshot

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Identifiers

10.1063/1.3153841

1 reference

Europe PubMed Central

PubMed publication ID

18 December 2017

http://europepmc.org/abstract/MED/19548709

PubMed publication ID

1 reference

Europe PubMed Central

PubMed publication ID

18 December 2017

http://europepmc.org/abstract/MED/19548709

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