Search Results - "Filimonov, Dmitry"

CLC-Pred: A freely available web-service for in silico prediction of human cell line cytotoxicity for drug-like compounds by Lagunin, Alexey A, Dubovskaja, Varvara I, Rudik, Anastasia V, Pogodin, Pavel V, Druzhilovskiy, Dmitry S, Gloriozova, Tatyana A, Filimonov, Dmitry A, Sastry, Narahari G, Poroikov, Vladimir V

“…In silico methods of phenotypic screening are necessary to reduce the time and cost of the experimental in vivo screening of anticancer agents through dozens…”
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QSAR without borders by Muratov, Eugene N, Bajorath, Jürgen, Sheridan, Robert P, Tetko, Igor V, Filimonov, Dmitry, Poroikov, Vladimir, Oprea, Tudor I, Baskin, Igor I, Varnek, Alexandre, Roitberg, Adrian, Isayev, Olexandr, Curtarolo, Stefano, Fourches, Denis, Cohen, Yoram, Aspuru-Guzik, Alan, Winkler, David A, Agrafiotis, Dimitris, Cherkasov, Artem, Tropsha, Alexander

“…Prediction of chemical bioactivity and physical properties has been one of the most important applications of statistical and more recently, machine learning…”
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SOMP: web server for in silico prediction of sites of metabolism for drug-like compounds by Rudik, Anastasia, Dmitriev, Alexander, Lagunin, Alexey, Filimonov, Dmitry, Poroikov, Vladimir

“…A new freely available web server site of metabolism predictor to predict the sites of metabolism (SOM) based on the structural formula of chemicals has been…”
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WWAD: the most comprehensive small molecule World Wide Approved Drug database of therapeutics by Savosina, Polina, Druzhilovskiy, Dmitry, Filimonov, Dmitry, Poroikov, Vladimir

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Data and Text Mining Help Identify Key Proteins Involved in the Molecular Mechanisms Shared by SARS-CoV-2 and HIV-1 by Tarasova, Olga, Ivanov, Sergey, Filimonov, Dmitry A, Poroikov, Vladimir

“…Viruses can be spread from one person to another; therefore, they may cause disorders in many people, sometimes leading to epidemics and even pandemics. New,…”
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A Computational Approach for the Prediction of HIV Resistance Based on Amino Acid and Nucleotide Descriptors by Tarasova, Olga, Biziukova, Nadezhda, Filimonov, Dmitry, Poroikov, Vladimir

“…The high variability of the human immunodeficiency virus (HIV) is an important cause of HIV resistance to reverse transcriptase and protease inhibitors. There…”
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Computational Prediction of Inhibitors and Inducers of the Major Isoforms of Cytochrome P450 by Rudik, Anastassia, Dmitriev, Alexander, Lagunin, Alexey, Filimonov, Dmitry, Poroikov, Vladimir

“…Human cytochrome P450 enzymes (CYPs) are heme-containing monooxygenases. This superfamily of drug-metabolizing enzymes is responsible for the metabolism of…”
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TCR‐Pred: A new web‐application for prediction of epitope and MHC specificity for CDR3 TCR sequences using molecular fragment descriptors by Smirnov, Anton S., Rudik, Anastasia V., Filimonov, Dmitry A., Lagunin, Alexey A.

“…The search for the relationships between CDR3 TCR sequences and epitopes or MHC types is a challenging task in modern immunology. We propose a new approach to…”
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SAV-Pred: A Freely Available Web Application for the Prediction of Pathogenic Amino Acid Substitutions for Monogenic Hereditary Diseases Studied in Newborn Screening by Zadorozhny, Anton D, Rudik, Anastasia V, Filimonov, Dmitry A, Lagunin, Alexey A

“…Next Generation Sequencing (NGS) technologies are rapidly entering clinical practice. A promising area for their use lies in the field of newborn screening…”
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Multi-targeted natural products evaluation based on biological activity prediction with PASS by Lagunin, Alexey, Filimonov, Dmitry, Poroikov, Vladimir

“…Natural products found a wide use in folk medicine. Presently, when routine development of new drugs faced a considerable challenge, they become an inspiration…”
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Mixed-Cation Perovskite La0.6Ca0.4Fe0.7Ni0.3O2.9 as a Stable and Efficient Catalyst for the Oxygen Evolution Reaction by Porokhin, Sergei V, Nikitina, Victoria A, Aksyonov, Dmitry A, Filimonov, Dmitry S, Pazhetnov, Egor M, Mikheev, Ivan V, Abakumov, Artem M

“…The La0.6Ca0.4Fe0.7Ni0.3O2.9 perovskite was synthesized using a modified ultrasonic spray pyrolysis technique with sorbitol as the fuel and ozone as the…”
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Prediction of viral protease inhibitors using proteochemometrics approach by Karasev, Dmitry A., Sobolev, Boris N., Filimonov, Dmitry A., Lagunin, Alexey

“…Being widely accepted tools in computational drug search, the (Q)SAR methods have limitations related to data incompleteness. The proteochemometrics (PCM)…”
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Assessment of the cardiovascular adverse effects of drug-drug interactions through a combined analysis of spontaneous reports and predicted drug-target interactions by Ivanov, Sergey, Lagunin, Alexey, Filimonov, Dmitry, Poroikov, Vladimir

“…Adverse drug effects (ADEs) are one of the leading causes of death in developed countries and are the main reason for drug recalls from the market, whereas the…”
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Computer-Aided Estimation of Biological Activity Profiles of Drug-Like Compounds Taking into Account Their Metabolism in Human Body by Filimonov, Dmitry A, Rudik, Anastassia V, Dmitriev, Alexander V, Poroikov, Vladimir V

“…Most pharmaceutical substances interact with several or even many molecular targets in the organism, determining the complex profiles of their biological…”
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Network-Based Analysis of OMICs Data to Understand the HIV–Host Interaction by Ivanov, Sergey, Lagunin, Alexey, Filimonov, Dmitry, Tarasova, Olga

“…The interaction of human immunodeficiency virus with human cells is responsible for all stages of the viral life cycle, from the infection of CD4+ cells to…”
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ADVERPred–Web Service for Prediction of Adverse Effects of Drugs by Ivanov, Sergey M, Lagunin, Alexey A, Rudik, Anastasia V, Filimonov, Dmitry A, Poroikov, Vladimir V

“…Application of structure–activity relationships (SARs) for the prediction of adverse effects of drugs (ADEs) has been reported in many published studies…”
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CLC-Pred 2.0: A Freely Available Web Application for In Silico Prediction of Human Cell Line Cytotoxicity and Molecular Mechanisms of Action for Druglike Compounds by Lagunin, Alexey A, Rudik, Anastasia V, Pogodin, Pavel V, Savosina, Polina I, Tarasova, Olga A, Dmitriev, Alexander V, Ivanov, Sergey M, Biziukova, Nadezhda Y, Druzhilovskiy, Dmitry S, Filimonov, Dmitry A, Poroikov, Vladimir V

“…In vitro cell-line cytotoxicity is widely used in the experimental studies of potential antineoplastic agents and evaluation of safety in drug discovery. In…”
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Relationships between the Structure and Severe Drug-Induced Liver Injury for Low, Medium, and High Doses of Drugs by Ivanov, Sergey M, Lagunin, Alexey A, Filimonov, Dmitry A, Poroikov, Vladimir V

“…Assessment of structure–activity relationships (SARs) for predicting severe drug-induced liver injury (DILI) is essential since in vivo and in vitro…”
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AntiBac-Pred: A Web Application for Predicting Antibacterial Activity of Chemical Compounds by Pogodin, Pavel V, Lagunin, Alexey A, Rudik, Anastasia V, Druzhilovskiy, Dmitry S, Filimonov, Dmitry A, Poroikov, Vladimir V

“…Discovery of new antibacterial agents is a never-ending task of medicinal chemistry. Every new drug brings significant improvement to patients with bacterial…”
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HGMMX: Host Gut Microbiota Metabolism Xenobiotics Database by Kolodnitsky, Anton S., Ionov, Nikita S., Rudik, Anastasia V., Filimonov, Dmitry A., Poroikov, Vladimir. V.

“…The metagenome of bacteria colonizing the human intestine is a set of genes that is almost 150 times greater than the set of host genes. Some of these genes…”
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