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6 results in Keywords: Reweighting

Physical Chemistry

Working Paper

Determination of Base Flipping Free Energy Landscapes from Nonequilibrium Stratification

Xiaohui Wang, Zhaoxi Sun

Version 2 posted 21 March 2019

1,141

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Biological and Medicinal Chemistry

Working Paper

Efficient Ensemble Refinement by Reweighting

Juergen Koefinger, Lukas S. Stelzl, Klaus Reuter, Cesar Allande, Katrin Reichel, Gerhard Hummer

Version 2 posted 12 March 2019

1,278

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Physical Chemistry

Working Paper

BAR-Based Multi-dimensional Nonequilibrium Pulling for Indirect Construction of QM/MM Free Energy Landscape: From Semi-Empirical to Ab Initio

Zhaoxi Sun

Version 2 posted 23 September 2019

721

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Physical Chemistry

Working Paper

Theoretical Understanding of the Thermodynamics and Interactions in Transcriptional Regulator TtgR-Ligand Binding

Zhaoxi Sun, Xiaohui Wang, John Z. H. Zhang

Version 1 posted 15 July 2019

638

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Biological and Medicinal Chemistry

Working Paper

Primary vs Secondary: Directionalized Guest Coordination in β-Cyclodextrin Derivatives

Zhaoxi Sun, Lei Zheng, Kai Wang, Zhe Huai, Zhirong Liu

Version 1 posted 22 June 2022

246

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Citations

Theoretical and Computational Chemistry

Working Paper

BICePs v2.0: Software for Ensemble Reweighting using Bayesian Inference of Conformational Populations

Robert Raddi, Yunhui Ge, Vincent Voelz

Version 1 posted 17 October 2022

141

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6 results in Reweighting in Keywords: Reweighting

Determination of Base Flipping Free Energy Landscapes from Nonequilibrium Stratification

Efficient Ensemble Refinement by Reweighting

BAR-Based Multi-dimensional Nonequilibrium Pulling for Indirect Construction of QM/MM Free Energy Landscape: From Semi-Empirical to Ab Initio

Theoretical Understanding of the Thermodynamics and Interactions in Transcriptional Regulator TtgR-Ligand Binding

Primary vs Secondary: Directionalized Guest Coordination in β-Cyclodextrin Derivatives

BICePs v2.0: Software for Ensemble Reweighting using Bayesian Inference of Conformational Populations

6 results in Keywords: Reweighting