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Physical Chemistry Chemical Physics : PCCP
|
May 1, 2015
Activation helix orientation of the estrogen receptor is mediated by receptor dimerization: evidence from molecular dynamics simulations
Filip Fratev
Physical Chemistry Chemical Physics : PCCP
|
March 16, 2016
PPARγ helix 12 exhibits an antagonist conformation
Filip Fratev
Journal of Chemical Information and Modeling
|
January 24, 2022
R346K Mutation in the <i>Mu</i> Variant of SARS-CoV-2 Alters the Interactions with Monoclonal Antibodies from Class 2: A Free Energy Perturbation Study
Filip Fratev
Journal of Biomolecular Structure & Dynamics
|
February 14, 2016
PPARγ non-covalent antagonists exhibit mutable binding modes with a similar free energy of binding: a case study
Filip Fratev
Journal of Chemical Information and Modeling
|
November 22, 2021
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
Filip Fratev
Journal of Chemical Information and Modeling
|
June 1, 2005
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
Filip Fratev, Emilio Benfenati
Scientific Reports
|
November 16, 2019
An Improved Free Energy Perturbation FEP+ Sampling Protocol for Flexible Ligand-Binding Domains
Filip Fratev, Suman Sirimulla
Journal of Molecular Graphics & Modelling
|
May 23, 2008
A combination of 3D-QSAR, docking, local-binding energy (LBE) and GRID study of the species differences in the carcinogenicity of benzene derivatives chemicals
Filip Fratev, Emilio Benfenati
Journal of Molecular Graphics & Modelling
|
January 23, 2010
The phosphorylation specificity of B-RAF WT, B-RAF D594V, B-RAF V600E and B-RAF K601E kinases: an in silico study
Filip Fratev, Svava Osk Jónsdóttir
Journal of Chemical Information and Modeling
|
April 16, 2014
Combination of genetic screening and molecular dynamics as a useful tool for identification of disease-related mutations: ZASP PDZ domain G54S mutation case
Filip Fratev, Elina Mihaylova, Ilza Pajeva
Page
of 3
Search research articles
Search
Showing results (1-10 of 21) with videos related to
Sort By:
Page
of 3
Physical Chemistry Chemical Physics : PCCP
|
May 1, 2015
Activation helix orientation of the estrogen receptor is mediated by receptor dimerization: evidence from molecular dynamics simulations
Filip Fratev
Physical Chemistry Chemical Physics : PCCP
|
March 16, 2016
PPARγ helix 12 exhibits an antagonist conformation
Filip Fratev
Journal of Chemical Information and Modeling
|
January 24, 2022
R346K Mutation in the <i>Mu</i> Variant of SARS-CoV-2 Alters the Interactions with Monoclonal Antibodies from Class 2: A Free Energy Perturbation Study
Filip Fratev
Journal of Biomolecular Structure & Dynamics
|
February 14, 2016
PPARγ non-covalent antagonists exhibit mutable binding modes with a similar free energy of binding: a case study
Filip Fratev
Journal of Chemical Information and Modeling
|
November 22, 2021
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
Filip Fratev
Journal of Chemical Information and Modeling
|
June 1, 2005
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
Filip Fratev, Emilio Benfenati
Scientific Reports
|
November 16, 2019
An Improved Free Energy Perturbation FEP+ Sampling Protocol for Flexible Ligand-Binding Domains
Filip Fratev, Suman Sirimulla
Journal of Molecular Graphics & Modelling
|
May 23, 2008
A combination of 3D-QSAR, docking, local-binding energy (LBE) and GRID study of the species differences in the carcinogenicity of benzene derivatives chemicals
Filip Fratev, Emilio Benfenati
Journal of Molecular Graphics & Modelling
|
January 23, 2010
The phosphorylation specificity of B-RAF WT, B-RAF D594V, B-RAF V600E and B-RAF K601E kinases: an in silico study
Filip Fratev, Svava Osk Jónsdóttir
Journal of Chemical Information and Modeling
|
April 16, 2014
Combination of genetic screening and molecular dynamics as a useful tool for identification of disease-related mutations: ZASP PDZ domain G54S mutation case
Filip Fratev, Elina Mihaylova, Ilza Pajeva
Page
of 3