Filip Fratev
Filip Fratev
Micar 21 & The University of Texas at El Paso (UTEP)& IAU A79
Verified email at - Homepage
Cited by
Cited by
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
An improved free energy perturbation FEP+ sampling protocol for flexible ligand-binding domains
F Fratev, S Sirimulla
Scientific reports 9 (1), 16829, 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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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