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2

Optimal Water Management and Sustainability in Irrigated Agriculture
Georgiou, Pantazis E. ; Karpouzos, Dimitrios K.

leaf damage Tetranychus urticae Asymmetrasca decedens Stigmina carpophila Polystigma amygdalinum intensive agriculture …
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3

Fire Vigilance Pocket: An Intelligent APP for Real-Time Fire Hazard Quantification
Wang, Zilong ; Zhang, Tianhang ; Huang, Xinyan
Fire Technology. 61(5):3461-3480

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4

Comparative evaluation of methods for the prediction of protein-ligand binding sites
S. Utges, Javier ; Barton, Geoffrey J.
J Cheminform
Journal of Cheminformatics, Vol 16, Iss 1, Pp 1-35 (2024)

Chemistry Binding pocket Drug discovery Research Ligand binding site pred... Machine learning …
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5

Comparative evaluation of methods for the prediction of protein–ligand binding sites
Javier S. Utgés ; Geoffrey J. Barton
Journal of Cheminformatics, Vol 16, Iss 1, Pp 1-35 (2024)

Ligand binding site pred... Binding pocket Benchmark Reference dataset Machine learning Drug discovery …
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6

Deprivation pockets through the lens of convolutional neural networks
Wang, Jiong ; Kuffer, Monika ; Roy, Debraj ; et al.
In Remote Sensing of Environment 1 December 2019 234

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7

Framework and development of data-driven physics based model with application in dimensional accuracy prediction in pocket milling
CHEN, Zhanying ; WANG, Liping ; ZHANG, Jiabo ; et al.
In Chinese Journal of Aeronautics June 2021 34(6):162-177

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8

Enhanced prediction of protein functional identity through the integration of sequence and structural features
Fujita, Suguru ; Terada, Tohru
In Computational and Structural Biotechnology Journal December 2024 23:4124-4130

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9

Identification of Novel Fourth-Generation Allosteric Inhibitors Targeting Inactive State of EGFR T790M/L858R/C797S and T790M/L858R Mutations: A Combined Machine Learning and Molecular Dynamics Approach.
Bhanja KK ; Patra N
Publisher: American Chemical Society Country of Publication: United States NLM ID: 101157530 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1520-5207 (Electronic) Linking ISSN: 15205207 NLM ISO Abbreviation: J Phys Chem B Subsets: MEDLINE

Humans Mutation Allosteric Regulation dr... Quantitative Structure-A... ErbB Receptors genetics ErbB Receptors antagonis... …
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10

Working with Models: broom and modelr
Mailund, Thomas ; Mailund, Thomas
R 4 Data Science Quick Reference : A Pocket Guide to APIs, Libraries, and Packages. :193-205

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12

Conclusions
Mailund, Thomas ; Mailund, Thomas
R 4 Data Science Quick Reference : A Pocket Guide to APIs, Libraries, and Packages. :225-225

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14

Working with Models: broom and modelr
Mailund, Thomas ; Mailund, Thomas
R Data Science Quick Reference : A Pocket Guide to APIs, Libraries, and Packages. :205-218

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15

Equivariant diffusion for structure-based de novo ligand generation with latent-conditioning
Le, Tuan ; Cremer, Julian ; Clevert, Djork-Arné ; et al.
Journal of Cheminformatics. 17(1)

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17

Conclusions
Mailund, Thomas ; Mailund, Thomas
R Data Science Quick Reference : A Pocket Guide to APIs, Libraries, and Packages. :239-239

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18

Research and Evaluation of the Allosteric Protein-Specific Force Field Based on a Pre-Training Deep Learning Model
Xiaoyue Ji ; Xiaochen Cui ; Zhengxin Li ; et al.
Journal of Chemical Information and Modeling. 63:2456-2468

Deep Learning Allosteric Regulation Catalytic Domain Proteins Molecular Dynamics Simul... Allosteric Site
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20

Exploring pocket-aware inhibitors of BTK kinase by generative deep learning, molecular docking, and molecular dynamics simulations.
Zheng, Li-Ting ; Qian, Kun ; Zhang, Jun ; et al.
RSC Adv ; ISSN:2046-2069 ; Volume:15 ; Issue:42

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