| 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 Retrospective Study F Fratev Journal of Chemical Information and Modeling 61 (12), 6079–6084, 2021 | 103 | 2021 |
| An improved free energy perturbation FEP+ sampling protocol for flexible ligand-binding domains F Fratev, S Sirimulla Scientific reports 9 (1), 16829, 2019 | 51 | 2019 |
| 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 | 38 | 2015 |
| 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 | 31 | 2013 |
| The R346K Mutation in the Mu Variant of SARS-CoV-2 Alter the Interactions with Monoclonal Antibodies from Class 2: A Free Energy of Perturbation Study F Fratev Journal of Chemical Information and Modeling 62 (3), 627–631, 2022 | 27 | 2022 |
| 1H-benzimidazole-2-yl hydrazones as tubulin-targeting agents: Synthesis, structural characterization, anthelmintic activity and antiproliferative activity against MCF-7 breast … K Anichina, M Argirova, R Tzoneva, V Uzunova, A Mavrova, D Vuchev, ... Chemico-Biological Interactions 345, 109540, 2021 | 25 | 2021 |
| 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 | 25* | 2020 |
| 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 | 25 | 2018 |
| 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 | 25 | 2006 |
| 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 | 25 | 2005 |
| The High Transmission of SARS-CoV-2 Omicron (B.1.1.529) Variant is Not Only Due to Its hACE2 binding: A Free Energy of Perturbation Study F Fratev bioRxiv, 10.1101/2021.12.04.471246, 2021 | 22* | 2021 |
| 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 | 22 | 2015 |
| 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 | 21 | 2013 |
| 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 | 21 | 2008 |
| 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 | 20 | 2014 |
| 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 | 19 | 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 | 19 | 2018 |
| 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 | 19 | 2015 |
| 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 |
| An in silico study of the molecular basis of B-RAF activation and conformational stability FF Fratev, SÓ Jónsdóttir BMC Structural Biology 9, 1-17, 2009 | 18 | 2009 |
Elina MihaylovaMicar21 Ltd.Потвърден имейл адрес: micar21.com
