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3D based generative PROTAC linker design with reinforcement learning

Briefings in bioinformatics, 2023-09, Vol.24 (5)

2023

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Single‐Layer Hexagonal Boron Nitride Nanopores as High‐Performance Ionic Gradient Power Generators

Small (Weinheim an der Bergstrasse, Germany), 2024-04, Vol.20 (16), p.e2306018-n/a

2024

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Manipulating Spin Exchange Interactions and Spin‐Selected Electron Transfers of 2D Metal Phosphorus Trisulfide Crystals for Efficient Oxygen Evolution Reaction

Advanced functional materials, 2023-10, Vol.33 (43)

2023

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Efficient ammonia photosynthesis from nitrate by graphene/Si Schottky junction integrated with Ni-Fe LDH catalyst

Journal of materials chemistry. A, Materials for energy and sustainability, 2023-05, Vol.11 (21), p.11179-11186

2023

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Deep learning-driven scaffold hopping in the discovery of Akt kinase inhibitors

Chemical communications (Cambridge, England), 2021-10, Vol.57 (81), p.1588-1591

2021

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Sodium Citrate Kolbe Electrolysis Polymerization in Aqueous Solution with Controlled Molecular Weight Distribution

Macromolecular chemistry and physics, 2020-07, Vol.221 (13), p.n/a

2020

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Ultrathin atomic layer deposition Al2O3 coatings on graphite cathode materials for improving anti‐self‐discharging Al‐ion battery

Journal of the Chinese Chemical Society (Taipei), 2023-12, Vol.70 (12), p.2238-2244

2023

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Structure of Mycobacterium tuberculosis cytochrome bcc in complex with Q203 and TB47, two anti-TB drug candidates

eLife, 2021-11, Vol.10

2021

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Preparation and application of poly(zwitterionic ionic liquid) to enhance the photocatalytic activity of TiO2

Journal of materials science, 2016-08, Vol.51 (15), p.7186-7198

2016

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Synthesis and Biological Evaluation of 1-(2-Aminophenyl)-3-arylurea Derivatives as Potential EphA2 and HDAC Dual Inhibitors

Chemical and Pharmaceutical Bulletin, 2016/08/01, Vol.64(8), pp.1136-1141

2016

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Discovery of novel A2AR antagonists through deep learning-based virtual screening

Artificial intelligence in the life sciences, 2023-12, Vol.3, p.100058, Article 100058

2023

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Investigation of the cross-sectional morphology of epitaxial Si nanowires grown by chemical vapor deposition for the fabrication of vertical devices

Materials science & engineering. B, Solid-state materials for advanced technology, 2022-07, Vol.281, p.115748, Article 115748

2022

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Lithiation-induced fracture of silicon nanowires observed by in-situ scanning electron microscopy

Nanotechnology, 2020-09, Vol.31 (36), p.364001-364001

2020

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Inhibition of Poly(ethylenediaminetetraacetic acid-diethanolamine) on Deposition of Calcium Sulfate Crystal in Simulated Industrial Water

Crystals (Basel), 2020-06, Vol.10 (6), p.544

2020

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SyntaLinker-Hybrid: A deep learning approach for target specific drug design

Artificial intelligence in the life sciences, 2022-12, Vol.2, p.100035, Article 100035

2022

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Regulating effect of Lactobacillus plantarum CQPC03 on lipid metabolism in high‐fat diet‐induced obesity in mice

Journal of food biochemistry, 2020-11, Vol.44 (11), p.e13495-n/a

2020

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A hypermethylation strategy utilized by enhancer-bound CARM1 to promote estrogen receptor α-dependent transcriptional activation and breast carcinogenesis

Theranostics, 2020-01, Vol.10 (8), p.3451-3473

2020

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Exploring the Active Site of the Antibacterial Target MraY by Modified Tunicamycins

ACS chemical biology, 2020-11, Vol.15 (11), p.2885-2895

2020

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An Integrated Virtual Screening Approach for VEGFR‑2 Inhibitors

Journal of chemical information and modeling, 2013-12, Vol.53 (12), p.3163-3177

2013

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Design, synthesis and biological evaluation of urea-based benzamides derivatives as HDAC inhibitors

Medicinal chemistry research, 2017-11, Vol.26 (11), p.2879-2888

2017

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Novel 1H-Pyrazole-3-carboxamide Derivatives: Synthesis, Anticancer Evaluation and Identification of Their DNA-Binding Interaction

Chemical and Pharmaceutical Bulletin, 2014/03/01, Vol.62(3), pp.238-246

2014

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De Novo Molecule Design Through the Molecular Generative Model Conditioned by 3D Information of Protein Binding Sites

Journal of chemical information and modeling, 2021-07, Vol.61 (7), p.3240-3254

2021

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Hydrothermal Synthesis of Te Nanosheets: Growth Mechanism and Electrical Property

ACS applied materials & interfaces, 2023-08, Vol.15 (32), p.38707-38715

2023

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Dissolved oxygen dependence of Microbe-Derived dissolved organic nitrogen dynamics during membrane biofilm-based linear alkylbenzene sulfonate mineralization

Chemical engineering journal (Lausanne, Switzerland : 1996), 2024-06, Vol.489, p.151409, Article 151409

2024

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Risk of recurrence of uterine leiomyomas following laparoscopic myomectomy compared with open myomectomy

Archives of gynecology and obstetrics, 2020, Vol.301 (1), p.235-242

2020

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3D based generative PROTAC linker design with reinforcement learning

Single‐Layer Hexagonal Boron Nitride Nanopores as High‐Performance Ionic Gradient Power Generators

Manipulating Spin Exchange Interactions and Spin‐Selected Electron Transfers of 2D Metal Phosphorus Trisulfide Crystals for Efficient Oxygen Evolution Reaction

Efficient ammonia photosynthesis from nitrate by graphene/Si Schottky junction integrated with Ni-Fe LDH catalyst

Deep learning-driven scaffold hopping in the discovery of Akt kinase inhibitors

Sodium Citrate Kolbe Electrolysis Polymerization in Aqueous Solution with Controlled Molecular Weight Distribution

Ultrathin atomic layer deposition Al2O3 coatings on graphite cathode materials for improving anti‐self‐discharging Al‐ion battery

Structure of Mycobacterium tuberculosis cytochrome bcc in complex with Q203 and TB47, two anti-TB drug candidates

Preparation and application of poly(zwitterionic ionic liquid) to enhance the photocatalytic activity of TiO2

Synthesis and Biological Evaluation of 1-(2-Aminophenyl)-3-arylurea Derivatives as Potential EphA2 and HDAC Dual Inhibitors

Discovery of novel A2AR antagonists through deep learning-based virtual screening

Investigation of the cross-sectional morphology of epitaxial Si nanowires grown by chemical vapor deposition for the fabrication of vertical devices

Lithiation-induced fracture of silicon nanowires observed by in-situ scanning electron microscopy

Inhibition of Poly(ethylenediaminetetraacetic acid-diethanolamine) on Deposition of Calcium Sulfate Crystal in Simulated Industrial Water

SyntaLinker-Hybrid: A deep learning approach for target specific drug design

Regulating effect of Lactobacillus plantarum CQPC03 on lipid metabolism in high‐fat diet‐induced obesity in mice

A hypermethylation strategy utilized by enhancer-bound CARM1 to promote estrogen receptor α-dependent transcriptional activation and breast carcinogenesis

Exploring the Active Site of the Antibacterial Target MraY by Modified Tunicamycins

An Integrated Virtual Screening Approach for VEGFR‑2 Inhibitors

Design, synthesis and biological evaluation of urea-based benzamides derivatives as HDAC inhibitors

Novel 1H-Pyrazole-3-carboxamide Derivatives: Synthesis, Anticancer Evaluation and Identification of Their DNA-Binding Interaction

De Novo Molecule Design Through the Molecular Generative Model Conditioned by 3D Information of Protein Binding Sites

Hydrothermal Synthesis of Te Nanosheets: Growth Mechanism and Electrical Property

Dissolved oxygen dependence of Microbe-Derived dissolved organic nitrogen dynamics during membrane biofilm-based linear alkylbenzene sulfonate mineralization

Risk of recurrence of uterine leiomyomas following laparoscopic myomectomy compared with open myomectomy

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