Simon Cross - Publications, H-index & Citations

Simon Cross

Magna Graecia University of Catanzaro

17H指数

39论文数

965被引数

收录论文 20

发表时间

Comparative Study of Allosteric GPCR Binding Sites and Their Ligandability Potential

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2024-10-23

OAAI

Peter, Sonja; Siragusa, Lydia; Thomas, Morgan; Palomba, Tommaso; Cross, Simon; O'Boyle, Noel M.; Bajusz, David; Ferenczy, Gyorgy G.; Keseru, Gyorgy M.; Bottegoni, Giovanni; Bender, Brian; Chen, Ijen; De Graaf, Chris

DeepGRID: Deep Learning Using GRID Descriptors for BBB Prediction DeepGRID: 使用网格描述符进行BBB预测的深度学习

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2023-08-28

PREAI

Storchi, Loriano; Cruciani, Gabriele; Cross, Simon

ELIOT: A platform to navigate the E3 pocketome and aid the design of new PROTACs 艾略特: 一个导航E3口袋和帮助设计新PROTACs的平台

CHEMICAL BIOLOGY & DRUG DESIGN

IF3.3

2022-07-27

PREAI

Palomba, Tommaso; Baroni, Massimo; Cross, Simon; Cruciani, Gabriele; Siragusa, Lydia

FragExplorer: GRID-Based Fragment Growing and Replacement

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2022-02-04

PREAI

Cross, Simon; Cruciani, Gabriele

Combining machine learning and quantum mechanics yields more chemically aware molecular descriptors for medicinal chemistry applications 将机器学习和量子力学相结合，可以为药物化学应用提供更多化学感知的分子描述符

JOURNAL OF COMPUTATIONAL CHEMISTRY

IF4.8

2021-08-19

OAAI

Tortorella, Sara; Carosati, Emanuele; Sorbi, Giulia; Bocci, Giovanni; Cross, Simon; Cruciani, Gabriele; Storchi, Loriano

Virtual screening identifies broad-spectrum β-lactamase inhibitors with activity on clinically relevant serine- and metallo-carbapenemases

SCIENTIFIC REPORTS

IF3.9

2020-07-29

OAAI

Spyrakis, Francesca; Santucci, Matteo; Maso, Lorenzo; Cross, Simon; Gianquinto, Eleonora; Sannio, Filomena; Verdirosa, Federica; De Luca, Filomena; Docquier, Jean-Denis; Cendron, Laura; Tondi, Donatella; Venturelli, Alberto; Cruciani, Gabriele; Costi, Maria Paola

Synthetic Peptide Libraries: From Random Mixtures to In Vivo Testing 合成肽库: 从随机混合物到体内测试

CURRENT MEDICINAL CHEMISTRY

IF3.5

2020-03-16

PREAI

Sandomenico, Annamaria; Caporale, Andrea; Doti, Nunzianna; Cross, Simon; Cruciani, Gabriele; Chambery, Angela; De Falco, Sandro; Ruvo, Menotti

Computational and biological profile of boronic acids for the detection of bacterial serine- and metallo-β-lactamases

SCIENTIFIC REPORTS

IF3.9

2017-12-18

OAAI

Santucci, Matteo; Spyrakis, Francesca; Cross, Simon; Quotadamo, Antonio; Farina, Davide; Tondi, Donatella; De Luca, Filomena; Docquier, Jean-Denis; Prieto, Ana Isabel; Ibacache, Claudia; Blazquez, Jesus; Venturelli, Alberto; Cruciani, Gabriele; Costi, Maria Paola

Structure-Based Virtual Screening for the Discovery of Novel Inhibitors of New Delhi Metallo-β-lactamase-1

ACS MEDICINAL CHEMISTRY LETTERS

IF4

2017-11-30

OAAI

Spyrakis, Francesca; Celenza, Giuseppe; Marcoccia, Francesca; Santucci, Matteo; Cross, Simon; Bellio, Pierangelo; Cendron, Laura; Perilli, Mariagrazia; Tondi, Donatella

Evaluating the risk of phospholipidosis using a new multidisciplinary pipeline approach

EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

IF5.9

2015-03-01

PREAI

Goracci, Laura; Buratta, Sandra; Urbanelli, Lorena; Ferrara, Giuseppina; Di Guida, Riccardo; Emiliani, Carla; Cross, Simon

BioGPS: Navigating biological space to predict polypharmacology, off-targeting, and selectivity

PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

IF2.8

2015-01-24

PREAI

Siragusa, Lydia; Cross, Simon; Baroni, Massimo; Goracci, Laura; Cruciani, Gabriele

Playing with Opening and Closing of Heterocycles: Using the Cusmano-Ruccia Reaction to Develop a Novel Class of Oxadiazolothiazinones, Active as Calcium Channel Modulators and P-Glycoprotein Inhibitors

MOLECULES

IF4.6

2014-10-14

OAAI

Spinelli, Domenico; Budriesi, Roberta; Cosimelli, Barbara; Severi, Elda; Micucci, Matteo; Baroni, Massimo; Fusi, Fabio; Ioan, Pierfranco; Cross, Simon; Frosini, Maria; Saponara, Simona; Matucci, Rosanna; Rosano, Camillo; Viale, Maurizio; Chiarini, Alberto; Carosati, Emanuele

The Inhibition of Extended Spectrum β-Lactamases: Hits and Leads

CURRENT MEDICINAL CHEMISTRY

IF3.5

2014-03-31

PREAI

Farina, Davide; Spyrakis, Francesca; Venturelli, Alberto; Cross, Simon; Tondi, Donatella; Costi, Maria Paola

Molecular interaction fields in drug discovery: recent advances and future perspectives 药物发现中的分子相互作用领域: 最新进展和未来展望

WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE

IF27

2013-05-03

PREAI

Artese, Anna; Cross, Simon; Costa, Giosue; Distinto, Simona; Parrotta, Lucia; Alcaro, Stefano; Ortuso, Francesco; Cruciani, Gabriele