List of works - Filip Fratev

3D-QSAR and molecular mechanics study for the differences in the azole activity against yeastlike and filamentous fungi and their relation to P450DM inhibition. 1. 3-substituted-4(3H)-quinazolinones

scientific article

A combination of 3D-QSAR, docking, local-binding energy (LBE) and GRID study of the species differences in the carcinogenicity of benzene derivatives chemicals

scientific article published on 10 April 2008

Activation helix orientation of the estrogen receptor is mediated by receptor dimerization: evidence from molecular dynamics simulations.

scientific article published on May 2015

An in silico study of the molecular basis of B-RAF activation and conformational stability

scientific article published on 22 July 2009

Combination of genetic screening and molecular dynamics as a useful tool for identification of disease-related mutations: ZASP PDZ domain G54S mutation case

scientific article published on 28 April 2014

Discovery of GlyT2 Inhibitors Using Structure-Based Pharmacophore Screening and Selectivity Studies by FEP+ Calculations

scientific article published on 22 May 2019

Discovery of New Classes of Glycine transporter 2 (GlyT2) Inhibitors and Study of GlyT2 Selectivity by Combination of Novel Structural Based Virtual Screening Approach and Free Energy Perturbation (FEP+) Calculations

Discovery of a novel selective PPARγ ligand with partial agonist binding properties by integrated in silico/in vitro work flow.

scientific article

Discovery of new AKT1 inhibitors by combination of in silico structure based virtual screening approaches and biological evaluations

scientific article published on 12 February 2020

Dust environment and dynamical history of a sample of short-period comets ⬇️

scientific article published in January 2014

Elucidation of the orientation of selected drugs with 2-hydroxylpropyl-β-cyclodextrin using 2D-NMR spectroscopy and molecular modeling

scientific article published on 07 May 2018

Molecular basis of inactive B-RAF(WT) and B-RAF(V600E) ligand inhibition, selectivity and conformational stability: an in silico study

scientific article published in January 2009

PPARγ helix 12 exhibits an antagonist conformation

scientific article published on 15 March 2016

PPARγ non-covalent antagonists exhibit mutable binding modes with a similar free energy of binding: a case study

scientific article published on 12 February 2016

Prediction of Accurate Binding Modes Using Combination of Classical and Accelerated Molecular Dynamics and Free-Energy Perturbation Calculations: An Application to Toxicity Studies

scientific article published on 20 April 2018

QSAR models for Daphnia magna toxicity prediction of benzoxazinone allelochemicals and their transformation products

scientific article published in February 2006

Structural and Dynamical Insight into PPARγ Antagonism: In Silico Study of the Ligand-Receptor Interactions of Non-Covalent Antagonists

scientific article

Structural insight into the UNC-45-myosin complex

scientific article published on 10 April 2013

The phosphorylation specificity of B-RAF WT, B-RAF D594V, B-RAF V600E and B-RAF K601E kinases: an in silico study.

scientific article published on 24 December 2009

Toxicity study of allelochemical-like pesticides by a combination of 3D-QSAR, docking, Local Binding Energy (LBE) and GRID approaches

scientific article published on 01 October 2007

List of works by Filip Fratev

3D-QSAR and molecular mechanics study for the differences in the azole activity against yeastlike and filamentous fungi and their relation to P450DM inhibition. 1. 3-substituted-4(3H)-quinazolinones

A combination of 3D-QSAR, docking, local-binding energy (LBE) and GRID study of the species differences in the carcinogenicity of benzene derivatives chemicals

Activation helix orientation of the estrogen receptor is mediated by receptor dimerization: evidence from molecular dynamics simulations.

An in silico study of the molecular basis of B-RAF activation and conformational stability

Combination of genetic screening and molecular dynamics as a useful tool for identification of disease-related mutations: ZASP PDZ domain G54S mutation case

Discovery of GlyT2 Inhibitors Using Structure-Based Pharmacophore Screening and Selectivity Studies by FEP+ Calculations

Discovery of New Classes of Glycine transporter 2 (GlyT2) Inhibitors and Study of GlyT2 Selectivity by Combination of Novel Structural Based Virtual Screening Approach and Free Energy Perturbation (FEP+) Calculations

Discovery of a novel selective PPARγ ligand with partial agonist binding properties by integrated in silico/in vitro work flow.

Discovery of new AKT1 inhibitors by combination of in silico structure based virtual screening approaches and biological evaluations

Dust environment and dynamical history of a sample of short-period comets ⬇️

Elucidation of the orientation of selected drugs with 2-hydroxylpropyl-β-cyclodextrin using 2D-NMR spectroscopy and molecular modeling

Molecular basis of inactive B-RAF(WT) and B-RAF(V600E) ligand inhibition, selectivity and conformational stability: an in silico study

PPARγ helix 12 exhibits an antagonist conformation

PPARγ non-covalent antagonists exhibit mutable binding modes with a similar free energy of binding: a case study

Prediction of Accurate Binding Modes Using Combination of Classical and Accelerated Molecular Dynamics and Free-Energy Perturbation Calculations: An Application to Toxicity Studies

QSAR models for Daphnia magna toxicity prediction of benzoxazinone allelochemicals and their transformation products

Structural and Dynamical Insight into PPARγ Antagonism: In Silico Study of the Ligand-Receptor Interactions of Non-Covalent Antagonists

Structural insight into the UNC-45-myosin complex

The phosphorylation specificity of B-RAF WT, B-RAF D594V, B-RAF V600E and B-RAF K601E kinases: an in silico study.

Toxicity study of allelochemical-like pesticides by a combination of 3D-QSAR, docking, Local Binding Energy (LBE) and GRID approaches