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

Proceedings of the National Academy of Sciences - PNAS, 2008-12, Vol.105 (51), p.20227-20232

2008

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Analysis of factors influencing hospitalization cost of patients with distal radius fractures: an empirical study based on public traditional Chinese medicine hospitals in two cities, China

BMC health services research, 2024-05, Vol.24 (1), p.605-605, Article 605

2024

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Profiling the composition and metabolic activities of microbial community in fermented grain for the Chinese strong-flavor Baijiu production by using the metatranscriptome, high-throughput 16S rRNA and ITS gene sequencings

Food research international, 2020-12, Vol.138 (Pt A), p.109765-109765, Article 109765

2020

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

The Journal of chemical physics, 2009-06, Vol.130 (23), p.234105-234105

2009

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On-the-path random walk sampling for efficient optimization of minimum free-energy path

Journal of computational chemistry, 2009-08, Vol.30 (11), p.1649-1653

2009

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Factors Influencing Hospitalization Cost for Diabetic Patients in Traditional Chinese Medicine Hospitals in Qingyang City, China

International journal of environmental research and public health, 2022-10, Vol.19 (21), p.13859

2022

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Practically Efficient QM/MM Alchemical Free Energy Simulations: The Orthogonal Space Random Walk Strategy

Journal of chemical theory and computation, 2010-08, Vol.6 (8), p.2253-2266

2010

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Simultaneous escaping of explicit and hidden free energy barriers: Application of the orthogonal space random walk strategyin generalized ensemble based conformational sampling

The Journal of chemical physics, 2009-06, Vol.130 (23), p.234105-234105-10

2009

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Glycosidic Bond Conformation Preference Plays a Pivotal Role in Catalysis of RNA Pseudouridylation: A Combined Simulation and Structural Study

Journal of molecular biology, 2010-09, Vol.401 (5), p.690-695

2010

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Enhancing QM/MM Molecular Dynamics Sampling in Explicit Environments via an Orthogonal-Space-Random-Walk-Based Strategy

The journal of physical chemistry. B, 2011-04, Vol.115 (14), p.3924-3935

2011

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Sampling Long Timescale Protein Motions: OSRW Simulation of Active Site Loop Conformational Free Energies in Formyl-CoA:Oxalate CoA Transferase

Journal of the American Chemical Society, 2010-06, Vol.132 (21), p.7252-7253

2010

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Sampling Long Time Scale Protein Motions: OSRW Simulation of Active Site Loop Conformational Free Energies in Formyl-CoA:Oxalate CoA Transferase

Journal of the American Chemical Society, 2010-06, Vol.132 (21), p.7252-7253

2010

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Dynamics of global dryland vegetation were more sensitive to soil moisture: Evidence from multiple vegetation indices

Agricultural and forest meteorology, 2023-03, Vol.331, p.109327, Article 109327

2023

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Enhanced degradation of DDT using a novel iron-assisted hydrochar catalyst combined with peroxymonosulfate: Experiment and mechanism analysis

Chemosphere (Oxford), 2022-11, Vol.307, p.135893-135893, Article 135893

2022

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Fine-Scale Analysis of the Long-Term Urban Thermal Environment in Shanghai Using Google Earth Engine

Remote sensing (Basel, Switzerland), 2023-08, Vol.15 (15), p.3732

2023

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Fault diagnosis of rolling bearing under time-varying speed conditions based on EfficientNetv2

Measurement science & technology, 2022-06, Vol.33 (6), p.65023

2022

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TRIM38 protects H9c2 cells from hypoxia/reoxygenation injury via the TRAF6/TAK1/NF- κ B signalling pathway

PeerJ (San Francisco, CA), 2022-08, Vol.10, p.e13815-e13815, Article e13815

2022

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Enhancement on the mechanical properties of 3D printing PEI composites via high thermal processing and fiber reinforcing

Polymers for advanced technologies, 2023-10, Vol.34 (10), p.3115-3124

2023

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Saikosaponin-d alleviates hepatic fibrosis through regulating GPER1/autophagy signaling

Molecular biology reports, 2021-12, Vol.48 (12), p.7853-7863

2021

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Effect of free ammonia on partial denitrification: Long-term performance, mechanism, and feasibility of PD/Anammox-FBBR for mature landfill leachate treatment

Water research (Oxford), 2023-09, Vol.243, p.120238-120238, Article 120238

2023

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Melatonin enhances salt tolerance in sorghum by modulating photosynthetic performance, osmoregulation, antioxidant defense, and ion homeostasis

Open life sciences, 2023-09, Vol.18 (1), p.20220734-20220734

2023

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Formation and granulation mechanism of granular sludge dominated by denitrifying glycogen-accumulating organisms

Chemical engineering journal (Lausanne, Switzerland : 1996), 2023-10, Vol.474, p.145638, Article 145638

2023

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Saikosaponin-d protects against liver fibrosis by regulating the estrogen receptor-β/NLRP3 inflammasome pathway

Biochemistry and cell biology, 2021-10, Vol.99 (5), p.666

2021

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Berberine Attenuates Myocardial Ischemia/Reperfusion Injury by Reducing Oxidative Stress and Inflammation Response: Role of Silent Information Regulator 1

Oxidative medicine and cellular longevity, 2016-01, Vol.2016, p.1689602-16

2016

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Preparation, structure and thermophysical properties of (Nd0.2Sm0.2Eu0.2La0.2Dy0.2)2Gd0.5Yb0.5TaO7 high entropy oxide

Ceramics international, 2024-09, Vol.50 (17), p.31726-31731

2024

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

Analysis of factors influencing hospitalization cost of patients with distal radius fractures: an empirical study based on public traditional Chinese medicine hospitals in two cities, China

Profiling the composition and metabolic activities of microbial community in fermented grain for the Chinese strong-flavor Baijiu production by using the metatranscriptome, high-throughput 16S rRNA and ITS gene sequencings

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

On-the-path random walk sampling for efficient optimization of minimum free-energy path

Factors Influencing Hospitalization Cost for Diabetic Patients in Traditional Chinese Medicine Hospitals in Qingyang City, China

Practically Efficient QM/MM Alchemical Free Energy Simulations: The Orthogonal Space Random Walk Strategy

Simultaneous escaping of explicit and hidden free energy barriers: Application of the orthogonal space random walk strategyin generalized ensemble based conformational sampling

Glycosidic Bond Conformation Preference Plays a Pivotal Role in Catalysis of RNA Pseudouridylation: A Combined Simulation and Structural Study

Enhancing QM/MM Molecular Dynamics Sampling in Explicit Environments via an Orthogonal-Space-Random-Walk-Based Strategy

Sampling Long Timescale Protein Motions: OSRW Simulation of Active Site Loop Conformational Free Energies in Formyl-CoA:Oxalate CoA Transferase

Sampling Long Time Scale Protein Motions: OSRW Simulation of Active Site Loop Conformational Free Energies in Formyl-CoA:Oxalate CoA Transferase

Dynamics of global dryland vegetation were more sensitive to soil moisture: Evidence from multiple vegetation indices

Enhanced degradation of DDT using a novel iron-assisted hydrochar catalyst combined with peroxymonosulfate: Experiment and mechanism analysis

Fine-Scale Analysis of the Long-Term Urban Thermal Environment in Shanghai Using Google Earth Engine

Fault diagnosis of rolling bearing under time-varying speed conditions based on EfficientNetv2

TRIM38 protects H9c2 cells from hypoxia/reoxygenation injury via the TRAF6/TAK1/NF- κ B signalling pathway

Enhancement on the mechanical properties of 3D printing PEI composites via high thermal processing and fiber reinforcing

Saikosaponin-d alleviates hepatic fibrosis through regulating GPER1/autophagy signaling

Effect of free ammonia on partial denitrification: Long-term performance, mechanism, and feasibility of PD/Anammox-FBBR for mature landfill leachate treatment

Melatonin enhances salt tolerance in sorghum by modulating photosynthetic performance, osmoregulation, antioxidant defense, and ion homeostasis

Formation and granulation mechanism of granular sludge dominated by denitrifying glycogen-accumulating organisms

Saikosaponin-d protects against liver fibrosis by regulating the estrogen receptor-β/NLRP3 inflammasome pathway

Berberine Attenuates Myocardial Ischemia/Reperfusion Injury by Reducing Oxidative Stress and Inflammation Response: Role of Silent Information Regulator 1

Preparation, structure and thermophysical properties of (Nd0.2Sm0.2Eu0.2La0.2Dy0.2)2Gd0.5Yb0.5TaO7 high entropy oxide

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