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Incorporating the thermodynamic effects of temperature and pressure on modeling neuronal gating kinetics
published 09 Oct 2025
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Resolution of physics and deep learning-based protein engineering filters: A case study with a lipase for industrial substrate hydrolysis
published 12 Sep 2025
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A highly accurate method for forecasting the compressor geometric variable system based on the data-driven method
published 27 Jul 2023
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The social cost of carbon driven by green behaviors
published 30 Jun 2023
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A novel approach for modelling and classifying sit-to-stand kinematics using inertial sensors
published 18 Oct 2022
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Automated fitting of transition state force fields for biomolecular simulations
published 10 Mar 2022
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Lateral access mechanism of LPA receptor probed by molecular dynamics simulation
published 03 Feb 2022
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A transition-based neural framework for Chinese information extraction
published 15 Jul 2020
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The nature of the ligand’s side chain interacting with the S1'-subsite of metallocarboxypeptidase T (from Thermoactinomyces vulgaris) determines the geometry of the tetrahedral transition complex
published 30 Dec 2019
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Intramolecular tautomerization of the quercetin molecule due to the proton transfer: QM computational study
published 21 Nov 2019
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Graph-theoretical analysis for energy landscape reveals the organization of state transitions in the resting-state human cerebral cortex
published 09 Sep 2019
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Mechanistic insights into the phosphoryl transfer reaction in cyclin-dependent kinase 2: A QM/MM study
published 04 Sep 2019
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Detailed characterization of the solution kinetics and thermodynamics of biotin, biocytin and HABA binding to avidin and streptavidin
published 28 Feb 2019
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