Lista de obras - Dmitry Filimonov - Dominio Público Uruguay

A Computational Approach for the Prediction of HIV Resistance Based on Amino Acid and Nucleotide Descriptors

artículo científico publicado en 2018

A Computational Approach for the Prediction of Treatment History and the Effectiveness or Failure of Antiretroviral Therapy

scientific article published on 23 January 2020

A computational analysis of transcriptional profiles from CD8(+) T lymphocytes reveals potential mechanisms of HIV/AIDS control and progression

artículo científico publicado en 2021

A new approach to QSAR modelling of acute toxicity†

article

A new statistical approach to predicting aromatic hydroxylation sites. Comparison with model-based approaches

artículo científico publicado en 2004

A possible mechanism of probucol and cholesterol interaction

ADVERPred-Web Service for Prediction of Adverse Effects of Drugs.

artículo científico publicado en 2017

AntiBac-Pred: A Web Application for Predicting Antibacterial Activity of Chemical Compounds

scientific article published on 12 November 2019

AntiHIV-Pred: web-resource for in silico prediction of anti-HIV/AIDS activity

scientific article published on 01 February 2020

Antihypoxic Action of Panax Japonicus, Tribulus Terrestris and Dioscorea Deltoidea Cell Cultures: In Silico and Animal Studies

scientific article published on 14 July 2020

Application of molecular descriptors for recognition of phosphorylation sites in amino acid sequences

artículo científico publicado en 2017

Assessment of the cardiovascular adverse effects of drug-drug interactions through a combined analysis of spontaneous reports and predicted drug-target interactions

artículo científico publicado en 2019

CLC-Pred: A freely available web-service for in silico prediction of human cell line cytotoxicity for drug-like compounds.

artículo científico publicado en 2018

Capacities of computer evaluation of hidden potential of phytochemicals of medicinal plants of the traditional Indian Ayurvedic medicine

article

Collaborative development of predictive toxicology applications

artículo científico publicado en 2010

Computational prediction of human immunodeficiency resistance to reverse transcriptase inhibitors

artículo científico publicado en 2017

Computer Aided Predicting the Biological Activity Spectra and Experimental Testing of New Thiazole Derivatives

scholarly article by Athina Geronikaki et al published January 1999 in QSAR and Combinatorial Science

Computer aided prediction of biological activity spectra: evaluating versus known and predicting of new activities for thiazole derivatives

artículo científico publicado en 2002

Computer evaluation of hidden potential of phytochemicals of medicinal plants of the traditional indian ayurvedic medicine

article

Computer search for molecular mechanisms of ulcerogenic action of non-steroidal anti-inflammatory drugs

scholarly article published March 2013

Computer search for molecular mechanisms of ulcerogenic action of nonsteroidal antiinflammatory drugs

artículo científico

Computer-Aided Estimation of Synthetic CompoundsSimilarity with Endogenous Bioregulations

scholarly article by Yulia Borodina et al published October 1998 in QSAR and Combinatorial Science

Computer-aided discovery of anti-inflammatory thiazolidinones with dual cyclooxygenase/lipoxygenase inhibition

artículo científico publicado en 2008

Computer-aided prediction of QT-prolongation

artículo científico publicado en 2008

Computer-aided prediction of receptor profile for drug-like compounds.

artículo científico publicado en 2002

Computer-aided prediction of xenobiotic metabolism in the human body

article published in 2016

Computer-aided rodent carcinogenicity prediction.

artículo científico publicado en 2005

Computer-assisted search and optimization of new human immunodeficiency virus integrase inhibitors

Correction: QSAR without borders

scientific article published on 22 May 2020

DIGEP-Pred: web service for in silico prediction of drug-induced gene expression profiles based on structural formula.

artículo científico publicado en 2013

Data Mining Approach for Extraction of Useful Information About Biologically Active Compounds from Publications

scientific article published on 10 September 2019

Data and Text Mining Help Identify Key Proteins Involved in the Molecular Mechanisms Shared by SARS-CoV-2 and HIV-1

artículo científico publicado en 2020

Design, synthesis and pharmacological evaluation of novel vanadium-containing complexes as antidiabetic agents

artículo científico publicado en 2014

Directions in QSAR modeling for regulatory uses in OECD member countries, EU and in Russia.

artículo científico publicado en 2008

Discriminating between drugs and nondrugs by prediction of activity spectra for substances (PASS).

artículo científico publicado en 2001

Drug-drug interaction prediction using PASS

artículo científico publicado en 2019

Exceptional electrocatalytic oxygen evolution via tunable charge transfer interactions in LaSrNiFeO Ruddlesden-Popper oxides

scientific article published in Nature Communications

Fragment-based design, docking, synthesis, biological evaluation and structure-activity relationships of 2-benzo/benzisothiazolimino-5-aryliden-4-thiazolidinones as cycloxygenase/lipoxygenase inhibitors

artículo científico publicado en 2011

Functional classification of proteins based on projection of amino acid sequences: application for prediction of protein kinase substrates

artículo científico publicado en 2010

How to Achieve Better Results Using PASS-Based Virtual Screening: Case Study for Kinase Inhibitors

artículo científico publicado en 2018

How to acquire new biological activities in old compounds by computer prediction.

artículo científico publicado en 2002

Identification of drug targets related to the induction of ventricular tachyarrhythmia through a systems chemical biology approach

artículo científico

Identification of drug-induced myocardial infarction-related protein targets through the prediction of drug-target interactions and analysis of biological processes

artículo científico

Improving (Q)SAR predictions by examining bias in the selection of compounds for experimental testing

artículo científico publicado en 2019

In Silico Identification of Proteins Associated with Drug-induced Liver Injury Based on the Prediction of Drug-target Interactions

artículo científico

In silico assessment of acute toxicity in rodents

article

In silico fragment-based drug design using a PASS approach.

artículo científico publicado en 2012

In silico method for identification of promising anticancer drug targets.

artículo científico publicado en 2009

In vitro interactions of abiraterone, erythromycin, and CYP3A4: implications for drug-drug interactions

scientific article published on 05 August 2019

Integral estimation of xenobiotics’ toxicity with regard to their metabolism in human organism

article

MetaPASS: a web application for analyzing the biological activity spectrum of organic compounds taking into account their biotransformation

artículo científico publicado en 2020

MetaTox: Web Application for Predicting Structure and Toxicity of Xenobiotics' Metabolites.

artículo científico publicado en 2017

Metabolism site prediction based on xenobiotic structural formulas and PASS prediction algorithm.

artículo científico publicado en 2014

Metatox - Web application for generation of metabolic pathways and toxicity estimation

scientific article published on 01 February 2019

Molecular encapsulator-appended poly(vinyl alcohol) shroud on ferrite nanoparticles. Augmented cancer-drug loading and anticancer property

artículo científico publicado en 2018

Multi-targeted natural products evaluation based on biological activity prediction with PASS.

artículo científico publicado en 2010

Network-Based Analysis of OMICs Data to Understand the HIV-Host Interaction

artículo científico publicado en 2020

PASS Targets: Ligand-based multi-target computational system based on a public data and naïve Bayes approach

artículo científico publicado en 2015

PASS-based approach to predict HIV-1 reverse transcriptase resistance

artículo científico publicado en 2016

PASS-based prediction of metabolites detection in biological systems

artículo científico publicado en 2019

PASS: identification of probable targets and mechanisms of toxicity†

article

PASS: prediction of activity spectra for biologically active substances

artículo científico publicado en 2000

Predicting Biotransformation Potential from Molecular Structure

Prediction of Drug-Drug Interactions Related to Inhibition or Induction of Drug-Metabolizing Enzymes

artículo científico publicado en 2019

Prediction of Protein-ligand Interaction Based on Sequence Similarity and Ligand Structural Features

scientific article published on 31 October 2020

Prediction of Severity of Drug-Drug Interactions Caused by Enzyme Inhibition and Activation

scientific article published on 31 October 2019

Prediction of amino acid positions specific for functional groups in a protein family based on local sequence similarity

artículo científico publicado en 2015

Prediction of biological activity profiles of cyanobacterial secondary metabolites.

artículo científico publicado en 2007

Prediction of biological activity spectra for substances: evaluation on the diverse sets of drug-like structures.

artículo científico publicado en 2003

Prediction of biological activity spectra via the Internet.

artículo científico publicado en 2003

Prediction of metabolites of epoxidation reaction in MetaTox

artículo científico publicado en 2017

Prediction of protein functional specificity without an alignment

artículo científico publicado en 2006

Prediction of reacting atoms for the major biotransformation reactions of organic xenobiotics

artículo científico publicado en 2016

QNA-Based Prediction of Sites of Metabolism.

artículo científico publicado en 2017

QNA-based 'Star Track' QSAR approach.

artículo científico publicado en 2009

QSAR Modeling Using Large-Scale Databases: Case Study for HIV-1 Reverse Transcriptase Inhibitors

artículo científico

QSAR Modelling of Rat Acute Toxicity on the Basis of PASS Prediction

article

QSAR without borders

artículo científico publicado en 2020

Quantitative prediction of antitarget interaction profiles for chemical compounds

artículo científico publicado en 2012

ROSC-Pred: web-service for rodent organ-specific carcinogenicity prediction

artículo científico publicado en 2017

Rational design of macrolides by virtual screening of combinatorial libraries generated through in silico manipulation of polyketide synthases.

artículo científico publicado en 2006

Recognition of protein function using the local similarity

artículo científico publicado en 2008

Robustness of biological activity spectra predicting by computer program PASS for noncongeneric sets of chemical compounds.

artículo científico publicado en 2000

SOMP: web server for in silico prediction of sites of metabolism for drug-like compounds.

artículo científico publicado en 2015

Tools for prediction of xenobiotics interaction with human cytochrome P450

Top 200 medicines: can new actions be discovered through computer-aided prediction?

artículo científico publicado en 2001

Why relevant chemical information cannot be exchanged without disclosing structures

article by Dmitry Filimonov et al published September 2005 in Journal of Computer - Aided Molecular Design

[Determination of Amino Acid Residues Responsible for Specific Interaction of Protein Kinases with Small Molecule Inhibitors]

artículo científico publicado en 2018

[Discovering new antiretroviral compounds in "Big Data" chemical space of the SAVI library]

artículo científico publicado en 2019

[Xenobiotic toxicity prediction combined with xenobiotic metabolism prediction in the human body]

scientific article published on 01 February 2019

Lista de obras de Dmitry Filimonov

A Computational Approach for the Prediction of HIV Resistance Based on Amino Acid and Nucleotide Descriptors

A Computational Approach for the Prediction of Treatment History and the Effectiveness or Failure of Antiretroviral Therapy

A computational analysis of transcriptional profiles from CD8(+) T lymphocytes reveals potential mechanisms of HIV/AIDS control and progression

A new approach to QSAR modelling of acute toxicity†

A new statistical approach to predicting aromatic hydroxylation sites. Comparison with model-based approaches

A possible mechanism of probucol and cholesterol interaction

ADVERPred-Web Service for Prediction of Adverse Effects of Drugs.

AntiBac-Pred: A Web Application for Predicting Antibacterial Activity of Chemical Compounds

AntiHIV-Pred: web-resource for in silico prediction of anti-HIV/AIDS activity

Antihypoxic Action of Panax Japonicus, Tribulus Terrestris and Dioscorea Deltoidea Cell Cultures: In Silico and Animal Studies

Application of molecular descriptors for recognition of phosphorylation sites in amino acid sequences

Assessment of the cardiovascular adverse effects of drug-drug interactions through a combined analysis of spontaneous reports and predicted drug-target interactions

CLC-Pred: A freely available web-service for in silico prediction of human cell line cytotoxicity for drug-like compounds.

Capacities of computer evaluation of hidden potential of phytochemicals of medicinal plants of the traditional Indian Ayurvedic medicine

Collaborative development of predictive toxicology applications

Computational prediction of human immunodeficiency resistance to reverse transcriptase inhibitors

Computer Aided Predicting the Biological Activity Spectra and Experimental Testing of New Thiazole Derivatives

Computer aided prediction of biological activity spectra: evaluating versus known and predicting of new activities for thiazole derivatives

Computer evaluation of hidden potential of phytochemicals of medicinal plants of the traditional indian ayurvedic medicine

Computer search for molecular mechanisms of ulcerogenic action of non-steroidal anti-inflammatory drugs

Computer search for molecular mechanisms of ulcerogenic action of nonsteroidal antiinflammatory drugs

Computer-Aided Estimation of Synthetic CompoundsSimilarity with Endogenous Bioregulations

Computer-aided discovery of anti-inflammatory thiazolidinones with dual cyclooxygenase/lipoxygenase inhibition

Computer-aided prediction of QT-prolongation

Computer-aided prediction of receptor profile for drug-like compounds.

Computer-aided prediction of xenobiotic metabolism in the human body

Computer-aided rodent carcinogenicity prediction.

Computer-assisted search and optimization of new human immunodeficiency virus integrase inhibitors

Correction: QSAR without borders

DIGEP-Pred: web service for in silico prediction of drug-induced gene expression profiles based on structural formula.

Data Mining Approach for Extraction of Useful Information About Biologically Active Compounds from Publications

Data and Text Mining Help Identify Key Proteins Involved in the Molecular Mechanisms Shared by SARS-CoV-2 and HIV-1

Design, synthesis and pharmacological evaluation of novel vanadium-containing complexes as antidiabetic agents

Directions in QSAR modeling for regulatory uses in OECD member countries, EU and in Russia.

Discriminating between drugs and nondrugs by prediction of activity spectra for substances (PASS).

Drug-drug interaction prediction using PASS

Exceptional electrocatalytic oxygen evolution via tunable charge transfer interactions in LaSrNiFeO Ruddlesden-Popper oxides

Fragment-based design, docking, synthesis, biological evaluation and structure-activity relationships of 2-benzo/benzisothiazolimino-5-aryliden-4-thiazolidinones as cycloxygenase/lipoxygenase inhibitors

Functional classification of proteins based on projection of amino acid sequences: application for prediction of protein kinase substrates

How to Achieve Better Results Using PASS-Based Virtual Screening: Case Study for Kinase Inhibitors

How to acquire new biological activities in old compounds by computer prediction.

Identification of drug targets related to the induction of ventricular tachyarrhythmia through a systems chemical biology approach

Identification of drug-induced myocardial infarction-related protein targets through the prediction of drug-target interactions and analysis of biological processes

Improving (Q)SAR predictions by examining bias in the selection of compounds for experimental testing

In Silico Identification of Proteins Associated with Drug-induced Liver Injury Based on the Prediction of Drug-target Interactions

In silico assessment of acute toxicity in rodents

In silico fragment-based drug design using a PASS approach.

In silico method for identification of promising anticancer drug targets.

In vitro interactions of abiraterone, erythromycin, and CYP3A4: implications for drug-drug interactions

Integral estimation of xenobiotics’ toxicity with regard to their metabolism in human organism

MetaPASS: a web application for analyzing the biological activity spectrum of organic compounds taking into account their biotransformation

MetaTox: Web Application for Predicting Structure and Toxicity of Xenobiotics' Metabolites.

Metabolism site prediction based on xenobiotic structural formulas and PASS prediction algorithm.

Metatox - Web application for generation of metabolic pathways and toxicity estimation

Molecular encapsulator-appended poly(vinyl alcohol) shroud on ferrite nanoparticles. Augmented cancer-drug loading and anticancer property

Multi-targeted natural products evaluation based on biological activity prediction with PASS.

Network-Based Analysis of OMICs Data to Understand the HIV-Host Interaction

PASS Targets: Ligand-based multi-target computational system based on a public data and naïve Bayes approach

PASS-based approach to predict HIV-1 reverse transcriptase resistance

PASS-based prediction of metabolites detection in biological systems

PASS: identification of probable targets and mechanisms of toxicity†

PASS: prediction of activity spectra for biologically active substances

Predicting Biotransformation Potential from Molecular Structure

Prediction of Drug-Drug Interactions Related to Inhibition or Induction of Drug-Metabolizing Enzymes

Prediction of Protein-ligand Interaction Based on Sequence Similarity and Ligand Structural Features

Prediction of Severity of Drug-Drug Interactions Caused by Enzyme Inhibition and Activation

Prediction of amino acid positions specific for functional groups in a protein family based on local sequence similarity

Prediction of biological activity profiles of cyanobacterial secondary metabolites.

Prediction of biological activity spectra for substances: evaluation on the diverse sets of drug-like structures.

Prediction of biological activity spectra via the Internet.

Prediction of metabolites of epoxidation reaction in MetaTox

Prediction of protein functional specificity without an alignment

Prediction of reacting atoms for the major biotransformation reactions of organic xenobiotics

QNA-Based Prediction of Sites of Metabolism.

QNA-based 'Star Track' QSAR approach.

QSAR Modeling Using Large-Scale Databases: Case Study for HIV-1 Reverse Transcriptase Inhibitors

QSAR Modelling of Rat Acute Toxicity on the Basis of PASS Prediction

QSAR without borders

Quantitative prediction of antitarget interaction profiles for chemical compounds