Simone Sciabola

2.3k citations

36 papers · 1.6k indexed · h-index 21

Impact in

Computational Theory and Mathematics top 0.5%
- Computational Drug Discovery Methods
Molecular Biology top 10%
- Protein Structure and Dynamics
- Chemical Synthesis and Analysis
- RNA Interference and Gene Delivery
- Receptor Mechanisms and Signaling
- Advanced biosensing and bioanalysis techniques
- DNA and Nucleic Acid Chemistry

Papers in ⓘ

Computational Theory and Mathematics 23
- Computational Drug Discovery Methods 23
Biological Psychiatry 1

Co-authors: Gabriele Cruciani (5 shared papers)Massimo Baroni (5 shared papers)Emanuele Carosati (3 shared papers)Francesca Perruccio (2 shared papers)Jonathan Mason (2 shared papers)Robert V. Stanton (8 shared papers)Gianni De Fabritiis (4 shared papers)Miha Škalič (1 shared paper)
Journals: Journal of Chemical Information and Modeling (9 papers)Journal of Medicinal Chemistry (3 papers)Nucleic Acids Research (3 papers)Scientific Reports (2 papers)Nucleic Acid Therapeutics (2 papers)
Partner nations: United States Italy United Kingdom

In The Last Decade

Simone Sciabola

35 papers receiving 1.6k citations

Peers

Countries citing papers authored by Simone Sciabola

Since Specialization

Citations

This map shows the geographic impact of Simone Sciabola's research. It shows the number of citations coming from papers published by authors working in each country. You can also color the map by specialization and compare the number of citations received by Simone Sciabola with the expected number of citations based on a country's size and research output (numbers larger than one mean the country cites Simone Sciabola more than expected).

Fields of papers citing papers by Simone Sciabola

Since Specialization

Physical SciencesHealth SciencesLife SciencesSocial Sciences

This network shows the impact of papers produced by Simone Sciabola. Nodes represent research fields, and links connect fields that are likely to share authors. Colored nodes show fields that tend to cite the papers produced by Simone Sciabola. The network helps show where Simone Sciabola may publish in the future.

Co-authors

The 25 scholars most cited alongside Simone Sciabola, linked wherever they have co-authored with each other. Click a name or a connecting line to browse the papers they share.

Border = papers with Simone Sciabola Line = papers co-authored together Simone Sciabola links everyone, so they are left out of the graph.

All Works

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20 of 20 papers shown

Showing the 20 most-cited of 36 papers — load more, or switch the sort, to bring in the rest.

#	Work
1	A Common Reference Framework for Analyzing/Comparing Proteins and Ligands. Fingerprints for Ligands And Proteins (FLAP): Theory and Application Journal of Chemical Information and Modeling ·Massimo Baroni, Gabriele Cruciani, Simone Sciabola, Francesca Perruccio, Jonathan Mason	2007	340
2	Hydrogen Bonding Interactions of Covalently Bonded Fluorine Atoms: From Crystallographic Data to a New Angular Function in the GRID Force Field Journal of Medicinal Chemistry ·Emanuele Carosati, Simone Sciabola, Gabriele Cruciani	2004	194
3	Sequence motifs associated with hepatotoxicity of locked nucleic acid—modified antisense oligonucleotides Nucleic Acids Research ·Andrew D. Burdick, Simone Sciabola, Srinivasa R. Mantena, Brett D. Hollingshead, Robert V. Stanton, James Warneke, Ming Zeng, E. S. Martsen, Alexander V. Medvedev, Sergei S. Makarov, Lori A. Reed, John W. Davis, Laurence O. Whiteley	2014	114
4	From Target to Drug: Generative Modeling for the Multimodal Structure-Based Ligand Design Molecular Pharmaceutics ·Miha Škalič, Davide Sabbadin, Boris Sattarov, Simone Sciabola, Gianni De Fabritiis	2019	92
5	Chemical Modification Study of Antisense Gapmers Nucleic Acid Therapeutics ·Robert V. Stanton, Simone Sciabola, Christopher T. Salatto, Yan Weng, Debra Moshinsky, Jeremy Little, Evan Walters, John M. Kreeger, Debra DiMattia, Tracy Chen, Tracey Clark, Mei Liu, Jessie Qian, Marc D. Roy, Robert Dullea	2012	87
6	A Novel Binding Mode Reveals Two Distinct Classes of NMDA Receptor GluN2B-selective Antagonists Molecular Pharmacology ·David Stroebel, Derek L. Buhl, John D. Knafels, Pranab K. Chanda, Michael Green, Simone Sciabola, Laétitia Mony, Pierre Paoletti, Jayvardhan Pandit	2016	85
7	High Throughput Method for the Indirect Detection of Intramolecular Hydrogen Bonding Journal of Medicinal Chemistry ·Gilles H. Goetz, William Farrell, Marina Shalaeva, Simone Sciabola, Dennis P. Anderson, Jiangli Yan, Laurence Philippe, Michael J. Shapiro	2014	78
8	High-Throughput Virtual Screening of Proteins Using GRID Molecular Interaction Fields Journal of Chemical Information and Modeling ·Simone Sciabola, Robert V. Stanton, James E. Mills, Maria M. Flocco, Massimo Baroni, Gabriele Cruciani, Francesca Perruccio, Jonathan Mason	2009	64
9	DeltaDelta neural networks for lead optimization of small molecule potency Chemical Science ·José Jiménez-Luna, Laura Pérez‐Benito, Gerard Martínez-Rosell, Simone Sciabola, Rubben Torella, Gary Tresadern, Gianni De Fabritiis	2019	48
10	cMolGPT: A Conditional Generative Pre-Trained Transformer for Target-Specific De Novo Molecular Generation Molecules ·Ye Wang, Honggang Zhao, Simone Sciabola, Wenlu Wang	2023	46
11	Dopamine D3 receptor antagonist reveals a cryptic pocket in aminergic GPCRs Scientific Reports ·Noelia Ferruz, Stefan Doerr, Michelle Vanase‐Frawley, Yaozhong Zou, Xiaohong Chen, Eric S. Marr, Robin T. Nelson, Bethany L. Kormos, Travis T. Wager, Xinjun Hou, Anabella Villalobos, Simone Sciabola, Gianni De Fabritiis	2018	44
12	Comparison of Ligand-Based and Structure-Based 3D-QSAR Approaches: A Case Study on (Aryl-)Bridged 2-Aminobenzonitriles Inhibiting HIV-1 Reverse Transcriptase Journal of Medicinal Chemistry ·Simone Sciabola, Emanuele Carosati, Massimo Baroni, Raimund Mannhold	2005	44
13	High-Throughput Biochemical Kinase Selectivity Assays: Panel Development and Screening Applications SLAS DISCOVERY ·Amy Card, Chris Caldwell, Hyunsuk Min, Bina Lokchander, Hualin Simon Xi, Simone Sciabola, Ajith V. Kamath, Susan L. Clugston, William R. Tschantz, Leyu Wang, Deborah Moshinsky	2008	41
14	Predicting Kinase Selectivity Profiles Using Free-Wilson QSAR Analysis Journal of Chemical Information and Modeling ·Simone Sciabola, Robert V. Stanton, Sarah Wittkopp, Scott A. Wildman, Deborah Moshinsky, Shobha Potluri, Hualin Simon Xi	2008	31
15	Prospective Validation of Machine Learning Algorithms for Absorption, Distribution, Metabolism, and Excretion Prediction: An Industrial Perspective Journal of Chemical Information and Modeling ·Cheng Fang, Ye Wang, Richard Grater, Sudarshan Kapadnis, Cheryl Black, Patrick Trapa, Simone Sciabola	2023	31
16	PFRED: A computational platform for siRNA and antisense oligonucleotides design PLoS ONE ·Simone Sciabola, Hualin Simon Xi, Dario A. Cruz, Qing Cao, Christine Lawrence, Tianhong Zhang, Sergio H. Rotstein, Jason D. Hughes, Daniel R. Caffrey, Robert V. Stanton	2021	30
17	Theoretical Prediction of the Enantiomeric Excess in Asymmetric Catalysis. An Alignment-Independent Molecular Interaction Field Based Approach The Journal of Organic Chemistry ·Simone Sciabola, Alexander Alex, Paul Higginson, John C. Mitchell, Martin J. Snowden, Iñaki Morao	2005	28
18	Novel TOPP descriptors in 3D-QSAR analysis of apoptosis inducing 4-aryl-4H-chromenes: Comparison versus other 2D- and 3D-descriptors Bioorganic & Medicinal Chemistry ·Simone Sciabola, Emanuele Carosati, L. Cucurull-Sanchez, Massimo Baroni, Raimund Mannhold	2007	26
19	Systematic N-methylation of oxytocin: Impact on pharmacology and intramolecular hydrogen bonding network Bioorganic & Medicinal Chemistry ·Simone Sciabola, Gilles H. Goetz, Guoyun Bai, Bruce N. Rogers, David Gray, Allen J. Duplantier, Kari R. Fonseca, Michelle Vanase‐Frawley, Natasha M. Kablaoui	2016	23
20	Pharmacophoric Fingerprint Method (TOPP) for 3D-QSAR Modeling: Application to CYP2D6 Metabolic Stability Journal of Chemical Information and Modeling ·Simone Sciabola, Iñaki Morao, Marcel J. de Groot	2006	22

About Simone Sciabola

Simone Sciabola is a scholar working on Computational Theory and Mathematics, Biological Psychiatry, Molecular Biology, Spectroscopy and Pharmacology, having authored 36 papers that have together received 1.6k indexed citations. Recurring topics across this work include Computational Drug Discovery Methods (23 papers), Protein Structure and Dynamics (10 papers), Machine Learning in Materials Science (6 papers), Receptor Mechanisms and Signaling (6 papers), Microbial Natural Products and Biosynthesis (5 papers), Analytical Chemistry and Chromatography (5 papers), Metabolomics and Mass Spectrometry Studies (5 papers) and RNA Interference and Gene Delivery (4 papers). The work is most often cited by research in Computational Theory and Mathematics (613 citations), Molecular Biology (1.1k citations), Pharmacology (75 citations), Organic Chemistry (240 citations) and Pharmaceutical Science (51 citations). Simone Sciabola has collaborated with scholars based in United States, Italy and United Kingdom. Frequent co-authors include Gabriele Cruciani, Massimo Baroni, Emanuele Carosati, Francesca Perruccio, Jonathan Mason, Robert V. Stanton, Gianni De Fabritiis, Miha Škalič, Davide Sabbadin and Boris Sattarov. Their work appears in journals such as Journal of Chemical Information and Modeling, Journal of Medicinal Chemistry, Nucleic Acids Research, Scientific Reports and Nucleic Acid Therapeutics.

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