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Simone Sciabola

biogen

23H指数
60论文数
2.3K被引数
收录论文 40
发表时间
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Machine Learning-Aided Small-Molecule Virtual Screening: Recent Advances and Future Perspectives机器学习辅助的小分子虚拟筛选: 最新进展和未来展望
errWiley Interdisciplinary Reviews-Computational Molecular Science
IF27
err2026-09-01
err0
PREAI
errYifei Wang; Nupur Bansal; Shiyun Wa; Simone Sciabola; Ye Wang
err分享
err收藏
Leveraging Kinase Drugs for Neurosciences: Discovery of Selective; CNS-Penetrant Reversible Bruton’s Tyrosine Kinase Inhibitors as Therapeutics for Neuroinflammation利用激酶药物进行神经科学研究：发现选择性、能穿透中枢神经系统的可逆性布鲁顿酪氨酸激酶抑制剂作为神经炎症的治疗方法
errJournal of Medicinal Chemistry
IF6.8
err2026-04-07
err0
errOAAI
errBrian T. Hopkins; Isaac E. Marx; Harlod George Vandeveer; Marta Nevalainen; Rebecca Basile; Bekim Bajrami; Colin K. Choi; Richard J. Grater; Chungang Gu; Marc Hoemberger; Ekta Kadakia; Sudarshan K. Kapadnis; Ying Liu; Bin Ma; Tom Magee; Claire M. Metrick; Michael Mingueneau; Cathy A. Muste; Chelsea R. Parker Harp; Robin J. Prince; Joseph C. Santoro; Jurgen Schulz; Simone Sciabola; Hao Tang; Ti Wang; Robert Meissner; Tonika Bohnert
err分享
err收藏
Application of protein language models for antibody developability prediction蛋白质语言模型在抗体可开发性预测中的应用
errmAbs
IF7.3
err2026-03-20
err0
errOAAI
errSamad Amini; Yimin Huang; Mark Julian; Christina Palmer; Simone Sciabola; Ye Wang
err分享
err收藏
ROSHAMBO2: Accelerating Molecular Alignment for Large Chemical Libraries with GPU Optimization and Algorithmic Advances (Vol 19, pg 9842, 2025)
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2026-01-01
err1
PREAI
errAtwi, Rasha; Farr, Stephen; Wang, Ye; Antoszewski, Adam; Sciabola, Simone
err分享
err收藏
ROSHAMBO2: Accelerating Molecular Alignment for Large Chemical Libraries with GPU Optimization and Algorithmic AdvancesROSHAMBO2：通过GPU优化和算法改进加速大型化学库的分子比对
errJournal of Chemical Information and Modeling
IF5.3
err2025-09-24
err0
PREAI
errRasha Atwi; Stephen Farr; Ye Wang; Adam Antoszewski; Simone Sciabola
err分享
err收藏
Macrocyclic Rearrangement Ion Fragmentation of Glutathione Conjugates of Cyclobutane-Containing Covalent BTK Inhibitors
errJOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY
IF2.7
err2025-03-01
err0
PREAI
errMuste, Cathy A.; Gu, Chungang; Vandeveer, H. George; Sciabola, Simone; Himmelbauer, Martin K.
err分享
err收藏
ROSHAMBO: Open-Source Molecular Alignment and 3D Similarity Scoring
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2024-10-30
err0
PREAI
errAtwi, Rasha; Wang, Ye; Sciabola, Simone; Antoszewski, Adam
err分享
err收藏
ACEGEN: Reinforcement Learning of Generative Chemical Agents for Drug DiscoveryACEGEN: 用于药物发现的生成化学试剂的强化学习
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2024-08-02
err2
errOAAI
errBou, Albert; Thomas, Morgan; Dittert, Sebastian; Navarro, Carles; Majewski, Maciej; Wang, Ye; Patel, Shivam; Tresadern, Gary; Ahmad, Mazen; Moens, Vincent; Sherman, Woody; Sciabola, Simone; De Fabritiis, Gianni
err分享
err收藏
Discovery and Preclinical Characterization of BIIB129, a Covalent, Selective, and Brain-Penetrant BTK Inhibitor for the Treatment of Multiple Sclerosis
errJOURNAL OF MEDICINAL CHEMISTRY
IF6.8
err2024-05-07
err3
errOAAI
errHimmelbauer, Martin K.; Bajrami, Bekim; Basile, Rebecca; Capacci, Andrew; Chen, Teyu; Choi, Colin K.; Gilfillan, Rab; de Turiso, Felix Gonzalez-Lopez; Gu, Chungang; Hoemberger, Marc; Johnson, Douglas S.; Jones, J. Howard; Kadakia, Ekta; Kirkland, Melissa; Lin, Edward Y.; Liu, Ying; Ma, Bin; Magee, Tom; Mantena, Srinivasa; Marx, Isaac E.; Metrick, Claire M.; Mingueneau, Michael; Murugan, Paramasivam; Muste, Cathy A.; Nadella, Prasad; Nevalainen, Marta; Parker Harp, Chelsea R.; Pattaropong, Vatee; Pietrasiewicz, Alicia; Prince, Robin J.; Purgett, Thomas J.; Santoro, Joseph C.; Schulz, Jurgen; Sciabola, Simone; Tang, Hao; Vandeveer, H. George; Wang, Ti; Yousaf, Zain; Helal, Christopher J.; Hopkins, Brian T.
err分享
err收藏
Large-Scale Pretraining Improves Sample Efficiency of Active Learning-Based Virtual Screening大规模预训练提高主动学习虚拟筛选的样本效率
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2024-03-05
err3
PREAI
errCao, Zhonglin; Sciabola, Simone; Wang, Ye
err分享
err收藏
Machine Learning Methods as a Cost-Effective Alternative to Physics-Based Binding Free Energy Calculations
errMOLECULES
IF4.6
err2024-02-13
err0
errOAAI
errBansal, Nupur; Wang, Ye; Sciabola, Simone
err分享
err收藏
cMolGPT: A Conditional Generative Pre-Trained Transformer for Target-Specific De Novo Molecular GenerationcMolGPT: 用于靶标特异性从头分子生成的条件生成预训练转换器
errMOLECULES
IF4.6
err2023-05-30
err27
errOAAI
errWang, Ye; Zhao, Honggang; Sciabola, Simone; Wang, Wenlu
err分享
err收藏
Prospective Validation of Machine Learning Algorithms for Absorption, Distribution, Metabolism, and Excretion Prediction: An Industrial Perspective
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2023-05-22
err26
PREAI
errFang, Cheng; Wang, Ye; Grater, Richard; Kapadnis, Sudarshan; Black, Cheryl; Trapa, Patrick; Sciabola, Simone
err分享
err收藏
Controlled sulfur-based engineering confers mouldability to phosphorothioate antisense oligonucleotides
errNUCLEIC ACIDS RESEARCH
IF13.1
err2023-04-26
err9
errOAAI
errGenna, Vito; Iglesias-Fernandez, Javier; Reyes-Fraile, Laura; Villegas, Nuria; Guckian, Kevin; Seth, Punit; Wan, Brad; Cabrero, Cristina; Terrazas, Montserrat; Brun-Heath, Isabelle; Gonzalez, Carlos; Sciabola, Simone; Villalobos, Anabella; Orozco, Modesto
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Harnessing Preclinical Data as a Predictive Tool for Human Brain Tissue Targeting
errACS CHEMICAL NEUROSCIENCE
IF3.9
err2021-03-02
err6
PREAI
errPatel, Nandini C.; Feng, Bo; Hou, Xinjun; West, Mark A.; Trapa, Patrick E.; Sciabola, Simone; Verhoest, Patrick; Liras, Jennifer L.; Maurer, Tristan S.; Wager, Travis T.
err分享
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Photoaffinity Labeling and Quantitative Chemical Proteomics Identify LXRβ as the Functional Target of Enhancers of Astrocytic apoE
errCELL CHEMICAL BIOLOGY
IF7.2
err2021-02-01
err22
PREAI
errSeneviratne, Uthpala; Huang, Zhen; Ende, Christopher W. am; Butler, Todd W.; Cleary, Leah; Dresselhaus, Erica; Evrard, Edelweiss; Fisher, Ethan L.; Green, Michael E.; Helal, Christopher J.; Humphrey, John M.; Lanyon, Lorraine F.; Marconi, Michael; Mukherjee, Paramita; Sciabola, Simone; Steppan, Claire M.; Sylvain, Emily K.; Tuttle, Jamison B.; Verhoest, Patrick R.; Wager, Travis T.; Xie, Longfei; Ramaswamy, Gayathri; Johnson, Douglas S.; Pettersson, Martin
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A Novel Lipidomics-Based Approach to Evaluating the Risk of Clinical Hepatotoxicity Potential of Drugs in 3D Human Microtissues
errCHEMICAL RESEARCH IN TOXICOLOGY
IF3.8
err2019-12-10
err12
PREAI
errGoracci, Laura; Valeri, Aurora; Sciabola, Simone; Aleo, Michael D.; Moritz, Wolfgang; Lichtenberg, Jan; Cruciani, Gabriele
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Understanding allosteric interactions in hMLKL protein that modulate necroptosis and its inhibition
errSCIENTIFIC REPORTS
IF3.9
err2019-11-14
err20
errOAAI
errBansal, Nupur; Sciabola, Simone; Bhisetti, Govinda
err分享
err收藏
Dopamine D3 receptor antagonist reveals a cryptic pocket in aminergic GPCRs (vol 8, 897, 2018)
errSCIENTIFIC REPORTS
IF3.9
err2019-04-10
err0
errOAAI
errFerruz, Noelia; Doerr, Stefan; Vanase-Frawley, Michelle A.; Zou, Yaozhong; Chen, Xiaomin; Marr, Eric S.; Nelson, Robin T.; Kormos, Bethany L.; Wager, Travis T.; Hou, Xinjun; Villalobos, Anabella; Sciabola, Simone; De Fabritiis, Gianni
err分享
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DeltaDelta neural networks for lead optimization of small molecule potency
errCHEMICAL SCIENCE
IF7.4
err2019-01-01
err44
errOAAI
errJimenez-Luna, Jose; Perez-Benito, Laura; Martinez-Rosell, Gerard; Sciabola, Simone; Torella, Rubben; Tresadern, Gary; De Fabritiis, Gianni
err分享
err收藏

研究方向

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合作学者
合作期刊
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Modesto Orozco
H 指数: 97 · 论文数: 641
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Matthew P. Jacobson
H 指数: 73 · 论文数: 346
王琴 封面图
王琴 (Qin Wang)
H 指数: 68 · 论文数: 872
G
Gabriele Cruciani
H 指数: 61 · 论文数: 353
W
Woody Sherman
H 指数: 58 · 论文数: 141
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