Fuqiang Ban

发表

Computer-aided drug discovery of Myc-Max inhibitors as potential therapeutics for prostate cancer.

Lavinia A. Carabet, Fariba Ghaidi, I. Mills, 2018, European journal of medicinal chemistry.

Progressive docking: a hybrid QSAR/docking approach for accelerating in silico high throughput screening.

Artem Cherkasov, Magid Fallahi, F. Ban, 2006, Journal of medicinal chemistry.

Deep Docking: A Deep Learning Platform for Augmentation of Structure Based Drug Discovery

Artem Cherkasov, Fuqiang Ban, Ulf Norinder, 2020, ACS central science.

Toxic Colors: The Use of Deep Learning for Predicting Toxicity of Compounds Merely from Their Graphic Images

Artem Cherkasov, Fuqiang Ban, Michael Hsing, 2018, J. Chem. Inf. Model..

SimBoost: a read-across approach for predicting drug–target binding affinities using gradient boosting machines

Artem Cherkasov, Martin Ester, Tong He, 2017, Journal of Cheminformatics.

Targeting SARS-CoV-2 papain-like protease in the postvaccine era

F. Ban, A. Cherkasov, Jason R Smith, 2022, Trends in Pharmacological Sciences.

Structure-Based Study to Overcome Cross-Reactivity of Novel Androgen Receptor Inhibitors

P. Rennie, F. Ban, Kriti Singh, 2015, Cells.

The discovery of Polo-like kinase 4 inhibitors: design and optimization of spiro[cyclopropane-1,3'[3H]indol]-2'(1'H).ones as orally bioavailable antitumor agents.

Narendra Kumar Patel, Y. Liu, T. Mak, 2015, Journal of medicinal chemistry.

Development of an Androgen Receptor Inhibitor Targeting the N-Terminal Domain of Androgen Receptor for Treatment of Castration Resistant Prostate Cancer

Ayse Derya Cavga, M. Gleave, P. Rennie, 2021, Cancers.

Selectively Targeting the DNA-binding Domain of the Androgen Receptor as a Prospective Therapy for Prostate Cancer*

P. Rennie, F. Ban, Kriti Singh, 2014, The Journal of Biological Chemistry.

Computer-Aided Ligand Discovery for Estrogen Receptor Alpha

P. Rennie, Divya Bafna, F. Ban, 2020, International journal of molecular sciences.

The discovery of PLK4 inhibitors: (E)-3-((1H-Indazol-6-yl)methylene)indolin-2-ones as novel antiproliferative agents.

Y. Liu, T. Mak, P. Sampson, 2013, Journal of medicinal chemistry.

Small molecule-induced degradation of the full length and V7 truncated variant forms of human androgen receptor.

P. Rennie, F. Ban, A. Cherkasov, 2018, European journal of medicinal chemistry.

Drugging the 'undruggable'. therapeutic targeting of protein-DNA interactions with the use of computer-aided drug discovery methods.

F. Ban, A. Cherkasov, Michael Hsing, 2021, Drug discovery today.

Crystallographic structure of wild-type SARS-CoV-2 main protease acyl-enzyme intermediate with physiological C-terminal autoprocessing site

Jaeyong Lee, M. Paetzel, N. Strynadka, 2020, Nature Communications.

Automated discovery of noncovalent inhibitors of SARS-CoV-2 main protease by consensus Deep Docking of 40 billion small molecules

N. Strynadka, F. Ban, A. Cherkasov, 2021, Chemical science.

Large-Scale Virtual Screening for the Discovery of SARS-CoV-2 Papain-like Protease (PLpro) Non-covalent Inhibitors

R. Young, N. Strynadka, F. Ban, 2023, J. Chem. Inf. Model..

The Discovery of Orally Bioavailable Tyrosine Threonine Kinase (TTK) Inhibitors: 3-(4-(heterocyclyl)phenyl)-1H-indazole-5-carboxamides as Anticancer Agents.

Narendra Kumar Patel, Y. Liu, T. Mak, 2015, Journal of medicinal chemistry.

Discovery of inhibitors of the mitotic kinase TTK based on N-(3-(3-sulfamoylphenyl)-1H-indazol-5-yl)-acetamides and carboxamides.

Narendra Kumar Patel, T. Mak, N. Chirgadze, 2014, Bioorganic & medicinal chemistry.

The Calculation of the Hyperfine Coupling Tensors of Biological Radicals

R. J. Boyd, F. Ban, S. Wetmore, 2013 .

Interleukin-10 and Small Molecule SHIP1 Allosteric Regulators Trigger Anti-inflammatory Effects through SHIP1/STAT3 Complexes

R. Andersen, F. van Petegem, A. Mui, 2020, bioRxiv.

Design and optimization of (3-aryl-1H-indazol-6-yl)spiro[cyclopropane-1,3'-indolin]-2'-ones as potent PLK4 inhibitors with oral antitumor efficacy.

Narendra Kumar Patel, T. Mak, P. Sampson, 2016, Bioorganic & medicinal chemistry letters.

The discovery of Polo-like kinase 4 inhibitors: identification of (1R,2S).2-(3-((E).4-(((cis).2,6-dimethylmorpholino)methyl)styryl). 1H.indazol-6-yl)-5'-methoxyspiro[cyclopropane-1,3'-indolin]-2'-one (CFI-400945) as a potent, orally active antitumor agent.

Narendra Kumar Patel, Y. Liu, T. Mak, 2015, Journal of medicinal chemistry.

Development of VPC-70619, a Small-Molecule N-Myc Inhibitor as a Potential Therapy for Neuroendocrine Prostate Cancer

F. Ban, Kriti Singh, A. Cherkasov, 2022, International journal of molecular sciences.

Supporting Information Rapid Identification of Potential Inhibitors of SARS-CoV-2 Main Protease by Deep Docking of 1.3 Billion Compounds

A. Mesecar, A. Cherkasov, Francesco Gentile, 2020 .

Development of Novel Inhibitors Targeting the D-Box of the DNA Binding Domain of Androgen Receptor

M. Gleave, P. Rennie, Fan Zhang, 2021, International journal of molecular sciences.

Cheminformatics Driven Development of Novel Therapies for Drug Resistant Prostate Cancer

P. Rennie, A. Cherkasov, Kush Dalal, 2018, Molecular informatics.

Best Practices of Computer-Aided Drug Discovery: Lessons Learned from the Development of a Preclinical Candidate for Prostate Cancer with a New Mechanism of Action

Artem Cherkasov, Huifang Li, Fuqiang Ban, 2017, J. Chem. Inf. Model..

Discovery of 1H-indole-2-carboxamides as novel inhibitors of the androgen receptor binding function 3 (BF3).

P. Rennie, F. Ban, A. Cherkasov, 2014, Journal of medicinal chemistry.

Discovery of small-molecule inhibitors selectively targeting the DNA-binding domain of the human androgen receptor.

P. Rennie, F. Ban, A. Cherkasov, 2014, Journal of medicinal chemistry.

Targeting the binding function 3 (BF3) site of the androgen receptor through virtual screening. 2. development of 2-((2-phenoxyethyl) thio)-1H-benzimidazole derivatives.

Artem Cherkasov, Eric Leblanc, Kate Frewin, 2013, Journal of medicinal chemistry.

PROTACable is an Integrative Computational Pipeline of 3-D Modeling and Deep Learning to Automate the De Novo Design of PROTACs

Hazem Mslati, Francesco Gentile, Mohit Pandey, 2023, bioRxiv.

Ivermectin inhibits HSP27 and potentiates efficacy of oncogene targeting in tumor models.

Evgenia V. Dueva, M. Gleave, A. Zoubeidi, 2019, The Journal of clinical investigation.

In silico identification of anthropogenic chemicals as ligands of zebrafish sex hormone binding globulin.

F. Ban, A. Cherkasov, G. Hammond, 2009, Toxicology and applied pharmacology.

Theoretical Studies of the Radiation Products of Hydroxyproline

R. J. Boyd, F. Ban, A. Gauld, 2000 .

A Density Functional Theory Study of the Radiation Products of Glycine

R. J. Boyd, F. Ban, J. Gauld, 2000 .

A Density-Functional Theory Investigation of the Radiation Products of l-α-Alanine

R. J. Boyd, F. Ban, S. Wetmore, 1999 .