F. Ban

发表

Computer-Aided Ligand Discovery for Estrogen Receptor Alpha

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

An updated steroid benchmark set and its application in the discovery of novel nanomolar ligands of sex hormone-binding globulin.

Artem Cherkasov, Nels Thorsteinson, Magid Fallahi, 2008, Journal of medicinal chemistry.

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.

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.

Perspectives on the discovery of NOTCH2‐specific inhibitors

F. Ban, A. Cherkasov, P. Black, 2018, Chemical biology & drug design.

Density functional theory investigations on the chemical basis of the selectivity filter in the K+ channel protein.

D. Weaver, F. Ban, P. Kusalik, 2004, Journal of the American Chemical Society.

The effect of electron-withdrawing groups on 15N and 13C chemical shifts: a density functional study on a series of pyrroles

R. J. Boyd, F. Ban, C. Hadden, 2005 .

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.

Cheminformatics Driven Development of Novel Therapies for Drug Resistant Prostate Cancer

P. Rennie, F. Ban, A. Cherkasov, 2018, Molecular informatics.

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.

Identification of a potent antiandrogen that targets the BF3 site of the androgen receptor and inhibits enzalutamide-resistant prostate cancer.

A. Zoubeidi, R. Young, P. Rennie, 2014, Chemistry & biology.

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.

Theoretical studies of the cross-linking mechanisms between cytosine and tyrosine.

R. J. Boyd, F. Ban, L. Eriksson, 2002, Journal of the American Chemical Society.

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, T. Mak, N. Chirgadze, 2015 .

Dual-Inhibitors of N-Myc and AURKA as Potential Therapy for Neuroendocrine Prostate Cancer

F. Ban, Kriti Singh, A. Cherkasov, 2020, International journal of molecular sciences.

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

F. Ban, A. Cherkasov, Francesco Gentile, 2020, Molecular informatics.

Modeling competitive reaction mechanisms of peroxynitrite oxidation of guanine.

R. J. Boyd, F. Ban, Ning Liu, 2006, The journal of physical chemistry. A.

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.

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.

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.

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.

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.

An evaluation of various computational methods for the treatment of organoselenium compounds.

R. J. Boyd, F. Ban, J. Pearson, 2005, The journal of physical chemistry. A.

Interleukin-10 and Small Molecule SHIP1 Allosteric Regulators Trigger Anti-Inflammatory Effects

R. Andersen, A. Mui, G. Krystal, 2020 .

Selectively targeting the dimerization interface of human androgen receptor with small-molecules to treat castration-resistant prostate cancer.

P. Rennie, J. Peacock, F. Ban, 2018, Cancer letters.

Recent applications of density functional theory calculations to biomolecules

R. J. Boyd, F. Ban, K. Rankin, 2002 .

Indel‐based targeting of essential proteins in human pathogens that have close host orthologue(s): Discovery of selective inhibitors for Leishmania donovani elongation factor‐1α

Artem Cherkasov, Meilan Huang, N. Reiner, 2007, Proteins.

Calibration of a computational scheme for solvation: Group I and II metal ions bound to water, formaldehyde and ammonia

F. Ban, R. J. Boyd *, B. Viswanathan, 2005 .

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.

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.

Validation of a computational scheme to study 15N and 13C nuclear shielding constants

Russell J. Boyd, R. J. Boyd, F. Ban, 2005 .

Modeling the reaction mechanisms of the amide hydrolysis in an N-(o-carboxybenzoyl)-L-amino acid.

R. J. Boyd, F. Ban, Zhijian Wu, 2003, Journal of the American Chemical Society.

Discovery of New Catalytic Topoisomerase II Inhibitors for Anticancer Therapeutics

M. Gleave, F. Ban, A. Cherkasov, 2021, Frontiers in Oncology.

The Calculation of the Hyperfine Coupling Tensors of Biological Radicals

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

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 .

Theoretical Studies of the Radiation Products of Hydroxyproline

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

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..

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.

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

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

Bypassing Drug Resistance Mechanisms of Prostate Cancer with Small Molecules that Target Androgen Receptor–Chromatin Interactions

M. Gleave, Rendong Yang, P. Rennie, 2017, Molecular Cancer Therapeutics.

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

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

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.

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.

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.

Selectively targeting the DNA-binding domain of the androgen receptor as a prospective therapy for prostate cancer.

P. Rennie, F. Ban, Kriti Singh, 2015, The Journal of Biological 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.

Development of 2-(5,6,7-Trifluoro-1H-Indol-3-yl)-quinoline-5-carboxamide as a Potent, Selective, and Orally Available Inhibitor of Human Androgen Receptor Targeting Its Binding Function-3 for the Treatment of Castration-Resistant Prostate Cancer.

Ayse Derya Cavga, M. Gleave, R. Young, 2021, 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.

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..

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.

Modeling the action of an antitumor drug: a density functional theory study of the mechanism of tirapazamine.

R. J. Boyd, F. Ban, J. Gauld, 2001, Journal of the American Chemical Society.

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

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

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.

Artificial intelligence–enabled virtual screening of ultra-large chemical libraries with deep docking

F. Ban, A. Cherkasov, Francesco Gentile, 2022, Nature Protocols.

Bioanalytical Assay Development and Validation for the Pharmacokinetic Study of GMC1, a Novel FKBP52 Co-chaperone Inhibitor for Castration Resistant Prostate Cancer

F. Ban, A. Cherkasov, Dong Liang, 2020, Pharmaceuticals.

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.

Quantitative Structure-Price Relationship (QS$R) Modeling and the Development of Economically Feasible Drug Discovery Projects

Artem Cherkasov, Alexander Tropsha, Fuqiang Ban, 2019, J. Chem. Inf. Model..

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.

Modeling the zinc chelating rosette nanotube

Ross Johnson, Andriy Kovalenko, Fuqiang Ban, 2005, 2005 International Conference on MEMS,NANO and Smart Systems.

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..

A novel class of broad-spectrum active-site-directed 3C-like protease inhibitors with nanomolar antiviral activity against highly immune-evasive SARS-CoV-2 Omicron subvariants

R. Leduc, M. Paetzel, N. Strynadka, 2023, Emerging microbes & infections.

Identification and characterization of small molecule inhibitors of the ubiquitin ligases Siah1/2 in melanoma and prostate cancer cells.

R. Liddington, M. Jackson, M. Gleave, 2019, Cancer letters.