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Past-future information bottleneck for sampling molecular reaction coordinate simultaneously with thermodynamics and kinetics

Nature communications, 2019-08, Vol.10 (1), p.3573-8, Article 3573

2019

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Toward Achieving Efficient and Accurate Ligand-Protein Unbinding with Deep Learning and Molecular Dynamics through RAVE

Journal of chemical theory and computation, 2019-01, Vol.15 (1), p.708-719

2019

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Reweighted autoencoded variational Bayes for enhanced sampling (RAVE)

The Journal of chemical physics, 2018-08, Vol.149 (7), p.072301-072301

2018

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A combination of machine learning and infrequent metadynamics to efficiently predict kinetic rates, transition states, and molecular determinants of drug dissociation from G protein-coupled receptors

The Journal of chemical physics, 2020-09, Vol.153 (12), p.124105-124105

2020

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Galaxy distributions as fractal systems

The European physical journal. C, Particles and fields, 2022-10, Vol.82 (10), p.1-16, Article 896

2022

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Dust content solutions for the Alcubierre warp drive spacetime

The European physical journal. C, Particles and fields, 2020-08, Vol.80 (8), p.1-8, Article 786

2020

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Fluid dynamics in the warp drive spacetime geometry

The European physical journal. C, Particles and fields, 2021-02, Vol.81 (2), p.1-22, Article 133

2021

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Effects of Polyphenols on Thermogenesis and Mitochondrial Biogenesis

International journal of molecular sciences, 2018-09, Vol.19 (9), p.2757

2018

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A literature-based study on the water–energy–food nexus for sustainable development

Stochastic environmental research and risk assessment, 2021-01, Vol.35 (1), p.95-116

2021

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A Delamination Propagation Model for Fiber Reinforced Laminated Composite Materials

Mathematical problems in engineering, 2018-01, Vol.2018 (2018), p.1-9

2018

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Combi-CLEAs of Glucose Oxidase and Catalase for Conversion of Glucose to Gluconic Acid Eliminating the Hydrogen Peroxide to Maintain Enzyme Activity in a Bubble Column Reactor

Catalysts, 2019-08, Vol.9 (8), p.657

2019

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Charged dust solutions for the warp drive spacetime

General relativity and gravitation, 2021-02, Vol.53 (2), Article 23

2021

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De Novo Design of κ-Opioid Receptor Antagonists Using a Generative Deep-Learning Framework

Journal of chemical information and modeling, 2023-08, Vol.63 (16), p.5056-5065

2023

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Testing cosmological models with the brightness profile of distant galaxies

Astrophysics and space science, 2021-11, Vol.366 (11), Article 109

2021

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Fractal analysis of the UltraVISTA galaxy survey

Physics letters. B, 2021-02, Vol.813, p.136034, Article 136034

2021

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A Metabolomic Approach to Predict Breast Cancer Behavior and Chemotherapy Response

International journal of molecular sciences, 2018-02, Vol.19 (2), p.617

2018

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High-derivatives and massive electromagnetic models in the Lemaître–Tolman–Bondi spacetime

The European physical journal. C, Particles and fields, 2020-03, Vol.80 (3), p.1-11, Article 240

2020

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Quantifying the climate change‐driven impacts on the hydrology of a data‐scarce watershed located in the Brazilian Tropical Savanna

Hydrological processes, 2022-07, Vol.36 (7), p.n/a

2022

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Effects of yerba maté, a plant extract formulation ("YGD") and resveratrol in 3T3-L1 adipogenesis

Molecules (Basel, Switzerland), 2014-10, Vol.19 (10), p.16909-16924

2014

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Behavior of zinc complex of bis(N‐phenylsulfonyldithiocarbimate) as accelerator in the vulcanization of nitrile rubber compounds

Journal of applied polymer science, 2019-03, Vol.136 (12), p.n/a

2019

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Hydraulic design of A-type Piano Key Weirs

Journal of hydraulic research, 2012-08, Vol.50 (4), p.400-408

2012

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Perfect fluid warp drive solutions with the cosmological constant

European physical journal plus, 2021-09, Vol.136 (9), p.902, Article 902

2021

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Numerical Approach to Simulate the Mechanical Behavior of Biodegradable Polymers during Erosion

Polymers, 2023-04, Vol.15 (9), p.1979

2023

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Measurement Uncertainty and Risk of False Compliance Assessment Applied to Carbon Isotopic Analyses in Natural Gas Exploratory Evaluation

Molecules (Basel, Switzerland), 2024-06, Vol.29 (13), p.3065

2024

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Influence of postharvest processing on the quality and sensory profile of groups of arabica coffee genotypesc

Journal of the science of food and agriculture, 2022-12, Vol.102 (15), p.6899-6906

2022

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Past-future information bottleneck for sampling molecular reaction coordinate simultaneously with thermodynamics and kinetics

Toward Achieving Efficient and Accurate Ligand-Protein Unbinding with Deep Learning and Molecular Dynamics through RAVE

Reweighted autoencoded variational Bayes for enhanced sampling (RAVE)

A combination of machine learning and infrequent metadynamics to efficiently predict kinetic rates, transition states, and molecular determinants of drug dissociation from G protein-coupled receptors

Galaxy distributions as fractal systems

Dust content solutions for the Alcubierre warp drive spacetime

Fluid dynamics in the warp drive spacetime geometry

Effects of Polyphenols on Thermogenesis and Mitochondrial Biogenesis

A literature-based study on the water–energy–food nexus for sustainable development

A Delamination Propagation Model for Fiber Reinforced Laminated Composite Materials

Combi-CLEAs of Glucose Oxidase and Catalase for Conversion of Glucose to Gluconic Acid Eliminating the Hydrogen Peroxide to Maintain Enzyme Activity in a Bubble Column Reactor

Charged dust solutions for the warp drive spacetime

De Novo Design of κ-Opioid Receptor Antagonists Using a Generative Deep-Learning Framework

Testing cosmological models with the brightness profile of distant galaxies

Fractal analysis of the UltraVISTA galaxy survey

A Metabolomic Approach to Predict Breast Cancer Behavior and Chemotherapy Response

High-derivatives and massive electromagnetic models in the Lemaître–Tolman–Bondi spacetime

Quantifying the climate change‐driven impacts on the hydrology of a data‐scarce watershed located in the Brazilian Tropical Savanna

Effects of yerba maté, a plant extract formulation ("YGD") and resveratrol in 3T3-L1 adipogenesis

Behavior of zinc complex of bis(N‐phenylsulfonyldithiocarbimate) as accelerator in the vulcanization of nitrile rubber compounds

Hydraulic design of A-type Piano Key Weirs

Perfect fluid warp drive solutions with the cosmological constant

Numerical Approach to Simulate the Mechanical Behavior of Biodegradable Polymers during Erosion

Measurement Uncertainty and Risk of False Compliance Assessment Applied to Carbon Isotopic Analyses in Natural Gas Exploratory Evaluation

Influence of postharvest processing on the quality and sensory profile of groups of arabica coffee genotypesc

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