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Combine umbrella sampling with integrated tempering method for efficient and accurate calculation of free energy changes of complex energy surface

The Journal of chemical physics, 2014-07, Vol.141 (4), p.044108-044108

2014

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Resource-Constrained Scheduling Algorithms for Stochastic Independent Tasks With Unknown Probability Distribution

Algorithmica, 2023-08, Vol.85 (8), p.2363-2394

2023

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Structural stability and pH-dependent conformational dynamics of noncanonical i-motif DNA

Biophysical journal, 2024-02, Vol.123 (3), p.497a-497a

2024

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On the molecular mechanism of ion specific Hofmeister series

Science China. Chemistry, 2014, Vol.57 (1), p.36-47

2014

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Tribute to Xiaoliang Sunney Xie

The journal of physical chemistry. B, 2023-09, Vol.127 (37), p.7797-7799

2023

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Editorial: Developments of Theoretical and Computational Chemistry Methods in Asia

Journal of chemical theory and computation, 2024-08, Vol.20 (15), p.6425-6425

2024

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Dynamic Scheduling Strategies for Firm Semi-Periodic Real-Time Tasks

IEEE transactions on computers, 2023-01, Vol.72 (1), p.55-68

2023

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Enhanced mechanical and humidity resistance properties of heat-treated wood by impregnation of low-molecular-weight lignin

Wood science and technology, 2022-09, Vol.56 (5), p.1551-1565

2022

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Synthesis of Trifluoromethyl- and Ester Group-Substituted α‑Carbolines via Iron-Catalyzed Tandem Cyclization Reaction

Journal of organic chemistry, 2020-03, Vol.85 (6), p.4354-4364

2020

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Minimizing Energy Consumption for Real-Time Tasks on Heterogeneous Platforms Under Deadline and Reliability Constraints

Algorithmica, 2024-07

2024

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The opposite effects of sodium and potassium cations on water dynamics

Chemical science (Cambridge), 2017-02, Vol.8 (2), p.1429-1435

2017

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Nonionic Water-Soluble Oligo(ethylene glycol)-Modified Polypeptides with a β‑Sheet Conformation

Biomacromolecules, 2024-08, Vol.25 (8), p.5343-5351

2024

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Deep Representation Learning for Complex Free-Energy Landscapes

The journal of physical chemistry letters, 2019-09, Vol.10 (18), p.5571-5576

2019

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Organic Semiconducting Alloys with Tunable Energy Levels

Journal of the American Chemical Society, 2019-04, Vol.141 (16), p.6561-6568

2019

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Microscopic Insight into the Protein Denaturation Action of Urea and Its Methyl Derivatives

The journal of physical chemistry letters, 2018-06, Vol.9 (11), p.2933-2940

2018

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The opposite effects of sodium and potassium cations on water dynamicsElectronic supplementary information (ESI) available: Details of the experiments & simulations, the rotational correlation functions, jump rotations, the free energy profiles along the hydrogen bond switching paths, and viscosity, tables and figures. See DOI: 10.1039/c6sc03320b

2017-01

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1D Sequence Based 3D Chromatin Phase Separation: Forces, Processes, and Functions

Wuli huaxue xuebao, 2020, Vol.36 (1), p.1907010

2020

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The opposite effects of sodium and potassium cations on water dynamics† †Electronic supplementary information (ESI) available: Details of the experiments & simulations, the rotational correlation functions, jump rotations, the free energy profiles along the hydrogen bond switching paths, and viscosity, tables and figures. See DOI: 10.1039/c6sc03320b Click here for additional data file

Chemical science (Cambridge), 2016-10, Vol.8 (2), p.1429-1435

2016

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Energy-aware strategies for reliability-oriented real-time task allocation on heterogeneous platforms

Proceedings of the 49th International Conference on Parallel Processing, 2020, p.1-11

2020

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Antitumor/antiviral drugs target on STING

Acta crystallographica. Section A, Foundations and advances, 2017-12, Vol.73 (a2), p.C524-C524

2017

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Scheduling independent stochastic tasks on heterogeneous cloud platforms

2019 IEEE International Conference on Cluster Computing (CLUSTER), 2019, p.1-11

2019

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Probing protein - DNA interaction by single molecule and structural analysis

Acta crystallographica. Section A, Foundations and advances, 2014-08, Vol.70 (a1), p.C198-C198

2014

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Temporal Enhancement Spatial-Temporal Graph Convolutional Networks

2023 5th International Conference on Machine Learning, Big Data and Business Intelligence (MLBDBI), 2023, p.114-118

2023

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Work-in-Progress: Evaluating Task Dropping Strategies for Overloaded Real-Time Systems

2021 IEEE Real-Time Systems Symposium (RTSS), 2021, p.528-531

2021

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HeI photoelectron spectroscopic (PES) studies of the electronic structure for alkyl nitrites CH3(CH2)nONO (n = 0, 1, 2, 3)

Journal of electron spectroscopy and related phenomena, 1996-11, Vol.82 (1-2), p.19-22

1996

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Combine umbrella sampling with integrated tempering method for efficient and accurate calculation of free energy changes of complex energy surface

Resource-Constrained Scheduling Algorithms for Stochastic Independent Tasks With Unknown Probability Distribution

Structural stability and pH-dependent conformational dynamics of noncanonical i-motif DNA

On the molecular mechanism of ion specific Hofmeister series

Tribute to Xiaoliang Sunney Xie

Editorial: Developments of Theoretical and Computational Chemistry Methods in Asia

Dynamic Scheduling Strategies for Firm Semi-Periodic Real-Time Tasks

Enhanced mechanical and humidity resistance properties of heat-treated wood by impregnation of low-molecular-weight lignin

Synthesis of Trifluoromethyl- and Ester Group-Substituted α‑Carbolines via Iron-Catalyzed Tandem Cyclization Reaction

Minimizing Energy Consumption for Real-Time Tasks on Heterogeneous Platforms Under Deadline and Reliability Constraints

The opposite effects of sodium and potassium cations on water dynamics

Nonionic Water-Soluble Oligo(ethylene glycol)-Modified Polypeptides with a β‑Sheet Conformation

Deep Representation Learning for Complex Free-Energy Landscapes

Organic Semiconducting Alloys with Tunable Energy Levels

Microscopic Insight into the Protein Denaturation Action of Urea and Its Methyl Derivatives

1D Sequence Based 3D Chromatin Phase Separation: Forces, Processes, and Functions

Energy-aware strategies for reliability-oriented real-time task allocation on heterogeneous platforms

Antitumor/antiviral drugs target on STING

Scheduling independent stochastic tasks on heterogeneous cloud platforms

Probing protein - DNA interaction by single molecule and structural analysis

Temporal Enhancement Spatial-Temporal Graph Convolutional Networks

Work-in-Progress: Evaluating Task Dropping Strategies for Overloaded Real-Time Systems

HeI photoelectron spectroscopic (PES) studies of the electronic structure for alkyl nitrites CH3(CH2)nONO (n = 0, 1, 2, 3)

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