| Discovery of a Novel Selective PPARγ Ligand with Partial Agonist Binding Properties by Integrated in Silico/in Vitro Work Flow I Kouskoumvekaki, RK Petersen, F Fratev, O Taboureau, TE Nielsen, ... Journal of chemical information and modeling 53 (4), 923-937, 2013 | 27 | 2013 |
| Activation helix orientation of the estrogen receptor is mediated by receptor dimerization: evidence from molecular dynamics simulations F Fratev Physical Chemistry Chemical Physics 17 (20), 13403-13420, 2015 | 25 | 2015 |
| 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 … F Fratev, E Benfenati Journal of chemical information and modeling 45 (3), 634-644, 2005 | 23 | 2005 |
| QSAR models for Daphnia magna toxicity prediction of benzoxazinone allelochemicals and their transformation products E Lo Piparo, F Fratev, F Lemke, P Mazzatorta, M Smiesko, JI Fritz, ... Journal of agricultural and food chemistry 54 (4), 1111-1115, 2006 | 20 | 2006 |
| The N501Y and K417N mutations in the spike protein of SARS-CoV-2 alter the interactions with both hACE2 and human derived antibody: A Free energy of perturbation study F Fratev bioRxiv, 2020.12.23.424283, 2020 | 19* | 2020 |
| Molecular Basis of Inactive B-RAFWT and B-RAFV600E Ligand Inhibition, Selectivity and Conformational Stability: An in Silico Study F Fratev, SÓ Jónsdóttir, E Mihaylova, I Pajeva Molecular pharmaceutics 6 (1), 144-157, 2009 | 19 | 2009 |
| Structural insight into the UNC‐45–myosin complex F Fratev, S Ósk Jónsdóttir, I Pajeva Proteins: Structure, Function, and Bioinformatics 81 (7), 1212-1221, 2013 | 18 | 2013 |
| Prediction of Accurate Binding Modes using Combination of classical and accelerated Molecular dynamics and Free Energy Perturbation Calculations: An Application to Toxicity Studies F Fratev, T Steinbrecher, SÖ Jònsdòttir ACS Omega 3 (4), 4357-4371, 2018 | 17 | 2018 |
| Combination of genetic screening and molecular dynamics as a useful tool for identification of disease-related mutations: ZASP PDZ domain G54S mutation case F Fratev, E Mihaylova, I Pajeva Journal of chemical information and modeling 54 (5), 1524-1536, 2014 | 16 | 2014 |
| A combination of 3D-QSAR, docking, local-binding energy (LBE) and GRID study of the species differences in the carcinogenicity of benzene derivatives chemicals F Fratev, E Benfenati Journal of Molecular Graphics and Modelling 27 (2), 147-160, 2008 | 16 | 2008 |
| Structural and dynamical insight into PPARγ antagonism: in silico study of the ligand-receptor interactions of non-covalent antagonists F Fratev, I Tsakovska, M Al Sharif, E Mihaylova, I Pajeva International journal of molecular sciences 16 (7), 15405-15424, 2015 | 15 | 2015 |
| An in silico study of the molecular basis of B-RAF activation and conformational stability FF Fratev, SÓ Jónsdóttir BMC Structural Biology 9 (1), 1-17, 2009 | 15 | 2009 |
| Toxicity study of allelochemical-like pesticides by a combination of 3D-QSAR, docking, Local Binding Energy (LBE) and GRID approaches F Fratev, EL Piparo, E Benfenati, E Mihaylova SAR and QSAR in Environmental Research 18 (7-8), 675-692, 2007 | 15 | 2007 |
| Molecular dynamics simulation of the human estrogen receptor alpha: contribution to the pharmacophore of the agonists D Jereva, F Fratev, I Tsakovska, P Alov, T Pencheva, I Pajeva Mathematics and Computers in Simulation, 10.1016/j.matcom.2015.07.003, 2015 | 12 | 2015 |
| The phosphorylation specificity of B-RAFWT, B-RAFD594V, B-RAFV600E and B-RAFK601E kinases: An in silico study F Fratev, SÓ Jónsdóttir Journal of Molecular Graphics and Modelling 28 (7), 598-603, 2010 | 11 | 2010 |
| An improved free energy perturbation FEP+ sampling protocol for flexible ligand-binding domains F Fratev, S Sirimulla Scientific reports 9 (1), 16829, 2019 | 10 | 2019 |
| Discovery of GlyT2 inhibitors using structure-based pharmacophore screening and selectivity studies by FEP+ calculations F Fratev, M Miranda-Arango, AB Lopez, E Padilla, S Sirimulla ACS medicinal chemistry letters 10 (6), 904-910, 2019 | 10 | 2019 |
| Elucidation of the orientation of selected drugs with 2-hydroxylpropyl-β-cyclodextrin using 2D-NMR spectroscopy and molecular modeling S Adhikari, S Daftardar, F Fratev, M Rivera, S Sirimulla, K Alexander, ... International journal of pharmaceutics 545 (1-2), 357-365, 2018 | 9 | 2018 |
| PPARγ helix 12 exhibits an antagonist conformation F Fratev Physical Chemistry Chemical Physics 18 (13), 9272-9280, 2016 | 7 | 2016 |
| PPARγ non-covalent antagonists exhibit mutable binding modes with a similar free energy of binding: A case study F Fratev Journal of Biomolecular Structure and Dynamics, 2016 | 7 | 2016 |
Elina MihaylovaMicar21 Ltd.Verified email at micar21.com
