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Artem Cherkasov
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QSAR modeling: where have you been? Where are you going to?
A Cherkasov, EN Muratov, D Fourches, A Varnek, II Baskin, M Cronin, ...
Journal of medicinal chemistry 57 (12), 4977-5010, 2014
18512014
The value of antimicrobial peptides in the age of resistance
M Magana, M Pushpanathan, AL Santos, L Leanse, M Fernandez, ...
The lancet infectious diseases 20 (9), e216-e230, 2020
6872020
Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information
I Sushko, S Novotarskyi, R Körner, AK Pandey, M Rupp, W Teetz, ...
Journal of computer-aided molecular design 25, 533-554, 2011
5882011
QSAR without borders
EN Muratov, J Bajorath, RP Sheridan, IV Tetko, D Filimonov, V Poroikov, ...
Chemical Society Reviews 49 (11), 3525-3564, 2020
5772020
Rapid identification of potential inhibitors of SARS‐CoV‐2 main protease by deep docking of 1.3 billion compounds
AT Ton, F Gentile, M Hsing, F Ban, A Cherkasov
Molecular informatics 39 (8), 2000028, 2020
4982020
Use of artificial intelligence in the design of small peptide antibiotics effective against a broad spectrum of highly antibiotic-resistant superbugs
A Cherkasov, K Hilpert, H Jenssen, CD Fjell, M Waldbrook, SC Mullaly, ...
ACS chemical biology 4 (1), 65-74, 2009
4102009
Combinatorial QSAR modeling of chemical toxicants tested against Tetrahymena pyriformis
H Zhu, A Tropsha, D Fourches, A Varnek, E Papa, P Gramatica, T Oberg, ...
Journal of chemical information and modeling 48 (4), 766-784, 2008
3312008
Identification of novel antibacterial peptides by chemoinformatics and machine learning
CD Fjell, H Jenssen, K Hilpert, WA Cheung, N Panté, REW Hancock, ...
Journal of medicinal chemistry 52 (7), 2006-2015, 2009
3262009
SimBoost: a read-across approach for predicting drug–target binding affinities using gradient boosting machines
T He, M Heidemeyer, F Ban, A Cherkasov, M Ester
Journal of cheminformatics 9, 1-14, 2017
3152017
AMPer: a database and an automated discovery tool for antimicrobial peptides
CD Fjell, REW Hancock, A Cherkasov
Bioinformatics 23 (9), 1148-1155, 2007
2692007
Applicability domains for classification problems: benchmarking of distance to models for Ames mutagenicity set
I Sushko, S Novotarskyi, R Körner, AK Pandey, A Cherkasov, J Li, ...
Journal of chemical information and modeling 50 (12), 2094-2111, 2010
2502010
Deep docking: a deep learning platform for augmentation of structure based drug discovery
F Gentile, V Agrawal, M Hsing, AT Ton, F Ban, U Norinder, ME Gleave, ...
ACS central science 6 (6), 939-949, 2020
2312020
Functional analysis of androgen receptor mutations that confer anti-androgen resistance identified in circulating cell-free DNA from prostate cancer patients
N Lallous, SV Volik, S Awrey, E Leblanc, R Tse, J Murillo, K Singh, ...
Genome biology 17, 1-15, 2016
2152016
Targeting the binding function 3 (BF3) site of the human androgen receptor through virtual screening.
NA Lack, P Axerio-Cilies, P Tavassoli, FQ Han, KH Chan, C Feau, ...
Journal of medicinal chemistry 54 (24), 8563-8573, 2011
1842011
Crystallographic structure of wild-type SARS-CoV-2 main protease acyl-enzyme intermediate with physiological C-terminal autoprocessing site
J Lee, LJ Worrall, M Vuckovic, FI Rosell, F Gentile, AT Ton, NA Caveney, ...
Nature communications 11 (1), 5877, 2020
1592020
A critical overview of computational approaches employed for COVID-19 drug discovery
EN Muratov, R Amaro, CH Andrade, N Brown, S Ekins, D Fourches, ...
Chemical Society Reviews 50 (16), 9121-9151, 2021
1532021
Therapeutic inhibition of Myc in cancer. Structural bases and computer-aided drug discovery approaches
LA Carabet, PS Rennie, A Cherkasov
International journal of molecular sciences 20 (1), 120, 2018
1532018
Evidence that plant-like genes in Chlamydia species reflect an ancestral relationship between Chlamydiaceae, cyanobacteria, and the chloroplast
FSL Brinkman, JL Blanchard, A Cherkasov, Y Av-Gay, RC Brunham, ...
Genome research 12 (8), 1159-1167, 2002
1502002
Selectively targeting the DNA-binding domain of the androgen receptor as a prospective therapy for prostate cancer
K Dalal, M Roshan-Moniri, A Sharma, H Li, F Ban, M Hessein, M Hsing, ...
Journal of biological chemistry 289 (38), 26417-26429, 2014
1462014
Discovery of small-molecule inhibitors selectively targeting the DNA-binding domain of the human androgen receptor
H Li, F Ban, K Dalal, E Leblanc, K Frewin, D Ma, H Adomat, PS Rennie, ...
Journal of medicinal chemistry 57 (15), 6458-6467, 2014
1442014
Il sistema al momento non può eseguire l'operazione. Riprova più tardi.
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