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Accelerating AutoDock Vina with GPUs

Molecules (Basel, Switzerland), 2022-05, Vol.27 (9), p.3041

2022

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A Fast Approximate Check Polytope Projection Algorithm for ADMM Decoding of LDPC Codes

IEEE communications letters, 2019-09, Vol.23 (9), p.1520-1523

2019

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One-pot synthesis of ZnFe2O4/C hollow spheres as superior anode materials for lithium ion batteries

Chemical communications (Cambridge, England), 2011-01, Vol.47 (24), p.6828-6830

2011

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Chloro-free route to mixed-metal oxides. Synthesis of lead titanate nanoparticles from a single-source precursor route

Journal of thermal analysis and calorimetry, 2011-05, Vol.104 (2), p.653-659

2011

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Vina-GPU 2.0: Further Accelerating AutoDock Vina and Its Derivatives with Graphics Processing Units

Journal of chemical information and modeling, 2023-04, Vol.63 (7), p.1982-1998

2023

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Synthesis of calcium titanate from [Ca(H2O)3]2[Ti2(O2)2O(NC6H6O6)2]·2H2O as a cheap single-source precursor

Solid state sciences, 2010-03, Vol.12 (3), p.339-344

2010

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Modeling Equivariant Neural Networks for Hardware Acceleration, a Case Study on the Molecular Docking Tool DiffDock

2024 IEEE Pacific Rim Conference on Communications, Computers and Signal Processing (PACRIM), 2024, p.1-6

2024

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Effectiveness Analysis of Multiple Initial States Simulated Annealing Algorithm, a Case Study on the Molecular Docking Tool AutoDock Vina

IEEE/ACM transactions on computational biology and bioinformatics, 2023-11, Vol.20 (6), p.3830-3841

2023

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Vina-GPU 2.1: Towards Further Optimizing Docking Speed and Precision of AutoDock Vina and Its Derivatives

IEEE/ACM transactions on computational biology and bioinformatics, 2024-09, Vol.PP, p.1-13

2024

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Vina-FPGA-Cluster: Multi-FPGA Based Molecular Docking Tool with High-Accuracy and Multi-Level Parallelism

IEEE transactions on biomedical circuits and systems, 2024-04, Vol.PP, p.1-17

2024

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Controllable synthesis of spinel nano-ZnMn2O4via a single source precursor route and its high capacity retention as anode material for lithium ion batteries

Journal of materials chemistry, 2011, Vol.21 (32), p.11987-11995

2011

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Predicting equilibrium distributions for molecular systems with deep learning

Nature machine intelligence, 2024-05, Vol.6 (5), p.558-567

2024

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Synthesis of calcium titanate from [Ca(H2O)3]2[Ti2(O2)2O(NC6H6O6)2]A.2H2O as a cheap single-source precursor

Solid state sciences, 2010-03, Vol.12 (3), p.339-344

2010

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Synthesis of calcium titanate from [Ca(H 2O) 3] 2[Ti 2(O 2) 2O(NC 6H 6O 6) 2]·2H 2O as a cheap single-source precursor

Solid state sciences, 2010, Vol.12 (3), p.339-344

2010

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ChemInform Abstract: Synthesis of Calcium Titanate from [Ca(H2O)3]2 [Ti2(O2)2O (NC6H6O6)2] ·2H2O as a Cheap Single-Source Precursor

ChemInform, 2010-06, Vol.41 (23), p.no-no

2010

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ChemInform Abstract: Synthesis of Calcium Titanate from [Ca(H 2 O) 3 ] 2 [Ti 2 (O 2 ) 2 O (NC 6 H 6 O 6 ) 2 ] ·2H 2 O as a Cheap Single‐Source Precursor

ChemInform, 2010-06, Vol.41 (23)

2010

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Effectiveness Analysis of Multiple Initial States Simulated Annealing Algorithm, a Case Study on the Molecular Docking Tool Autodock Vina

SSRN Electronic Journal

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Reversible colorimetric and NIR fluorescent probe for sensing SO2/H2O2 in living cells and food samples

Food chemistry, 2023-05, Vol.407, p.135031, Article 135031

2023

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The mechanism of trans-δ-viniferin inhibiting the proliferation of lung cancer cells A549 by targeting the mitochondria

Frontiers in pharmacology, 2023-05, Vol.14, p.1190127-1190127

2023

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Synthesis of a Turn-On Fluorescent Probe for Hydrogen Sulfide and Its Application in Red Wine and Living Cells

Yŏujī huàxué, 2023, Vol.43 (1), p.308

2023

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Numerical Simulation of Temperature Field and Residual Stresses in Stainless Steel T-Joint

Transactions of the Indian Institute of Metals, 2020-03, Vol.73 (3), p.751-761

2020

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Establishment of magnetic resonance imaging 3D reconstruction technology of orbital soft tissue and its preliminary application in patients with thyroid‐associated ophthalmopathy

Clinical endocrinology (Oxford), 2018-05, Vol.88 (5), p.637-644

2018

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Endonuclease mimetic activity of laccase with sequence preference following redox potential and interaction of bases

Results in engineering, 2024-03, Vol.21, p.101666, Article 101666

2024

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The combination of breast cancer PDO and mini‐PDX platform for drug screening and individualized treatment

Journal of cellular and molecular medicine, 2024-05, Vol.28 (9), p.e18374-n/a

2024

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Cover Image, Volume 88, Issue 5

Clinical endocrinology (Oxford), 2018-05, Vol.88 (5)

2018

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Accelerating AutoDock Vina with GPUs

A Fast Approximate Check Polytope Projection Algorithm for ADMM Decoding of LDPC Codes

One-pot synthesis of ZnFe2O4/C hollow spheres as superior anode materials for lithium ion batteries

Chloro-free route to mixed-metal oxides. Synthesis of lead titanate nanoparticles from a single-source precursor route

Vina-GPU 2.0: Further Accelerating AutoDock Vina and Its Derivatives with Graphics Processing Units

Synthesis of calcium titanate from [Ca(H2O)3]2[Ti2(O2)2O(NC6H6O6)2]·2H2O as a cheap single-source precursor

Modeling Equivariant Neural Networks for Hardware Acceleration, a Case Study on the Molecular Docking Tool DiffDock

Effectiveness Analysis of Multiple Initial States Simulated Annealing Algorithm, a Case Study on the Molecular Docking Tool AutoDock Vina

Vina-GPU 2.1: Towards Further Optimizing Docking Speed and Precision of AutoDock Vina and Its Derivatives

Vina-FPGA-Cluster: Multi-FPGA Based Molecular Docking Tool with High-Accuracy and Multi-Level Parallelism

Controllable synthesis of spinel nano-ZnMn2O4via a single source precursor route and its high capacity retention as anode material for lithium ion batteries

Predicting equilibrium distributions for molecular systems with deep learning

Synthesis of calcium titanate from [Ca(H2O)3]2[Ti2(O2)2O(NC6H6O6)2]A.2H2O as a cheap single-source precursor

Synthesis of calcium titanate from [Ca(H 2O) 3] 2[Ti 2(O 2) 2O(NC 6H 6O 6) 2]·2H 2O as a cheap single-source precursor

ChemInform Abstract: Synthesis of Calcium Titanate from [Ca(H2O)3]2 [Ti2(O2)2O (NC6H6O6)2] ·2H2O as a Cheap Single-Source Precursor

ChemInform Abstract: Synthesis of Calcium Titanate from [Ca(H 2 O) 3 ] 2 [Ti 2 (O 2 ) 2 O (NC 6 H 6 O 6 ) 2 ] ·2H 2 O as a Cheap Single‐Source Precursor

Effectiveness Analysis of Multiple Initial States Simulated Annealing Algorithm, a Case Study on the Molecular Docking Tool Autodock Vina

Reversible colorimetric and NIR fluorescent probe for sensing SO2/H2O2 in living cells and food samples

The mechanism of trans-δ-viniferin inhibiting the proliferation of lung cancer cells A549 by targeting the mitochondria

Synthesis of a Turn-On Fluorescent Probe for Hydrogen Sulfide and Its Application in Red Wine and Living Cells

Numerical Simulation of Temperature Field and Residual Stresses in Stainless Steel T-Joint

Establishment of magnetic resonance imaging 3D reconstruction technology of orbital soft tissue and its preliminary application in patients with thyroid‐associated ophthalmopathy

Endonuclease mimetic activity of laccase with sequence preference following redox potential and interaction of bases

The combination of breast cancer PDO and mini‐PDX platform for drug screening and individualized treatment

Cover Image, Volume 88, Issue 5

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