20 March 2019 Filip Fratev / Micar21 Journal of Medicinal Chemistry (under second round review)

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

20 March 2019 Filip Fratev / Micar21 Scientific Reports - Nature (under second round review)

An Improvement of the Free Energy Perturbation (FEP+) Sampling Protocol in Case of Flexible protein Ligand Binding Sites

20 March 2019 Filip Fratev / Micar21 Journal of Biomolecular Structure and Dynamics (under second round review)

Discovery of New AKT1 Inhibitors by Combination of In silico Structure Based Virtual Screening Approaches and Biological Evaluations

24 February 2013 Filip Fratev / Micar21 Journal of Chemical information and modeling

Discovery of a Novel Selective PPARγ Ligand with Partial Agonist Binding Properties by Integrated in Silico/in Vitro Work Flow.

20 April 2018 Filip Fratev / Micar21 / Schrödinger GmbH ACS Omega

Prediction of Accurate Binding Modes using Combination of classical and accelerated Molecular dynamics and Free Energy Perturbation Calculations: An Application to Toxicity Studies

1 November 2017 Filip Fratev / Micar21 Conference: ACS SWRM

Combination of Structural based Pharmacophore and Docking Virtual Screens: An Efficient Structure-based Protocol for Lead Identification

12 February 2016 Filip Fratev / Micar21 Journal of Biomolecular Structure and Dynamics

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

19 February 2016 Filip Fratev / Micar21 Physical Chemistry Chemical Physics

PPARγ helix 12 exhibits an antagonist conformation

8 July 2015 Filip Fratev / Micar21 International Journal of Molecular Sciences

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

16 April 2015 Filip Fratev / Micar21 Physical Chemistry Chemical Physics

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

14 April 2014 Filip Fratev / Micar21 Journal of Chemical information and modeling

Combination of Genetic Screening and Molecular Dynamics as a Useful Tool for Identification of Disease-Related Mutations: ZASP PDZ Domain G54S Mutation Case

10 April 2013 Filip Fratev / Micar21 Proteins: Structure, Function, and Bioinformatics

Structural insight into the UNC-45–myosin complex

2 December 2008 Filip Fratev / Micar21 / Molecular Pharmaceutics

Molecular Basis of Inactive B-RAFWT and B-RAFV600E Ligand Inhibition, Selectivity and Conformational Stability: An in Silico Study

22 July 2009 Filip Fratev / Micar21 / BMC Structural Biology

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

23 July 2015 Filip Fratev / Micar21 / Mathematics and Computers in Simulation

Molecular dynamics simulation of the human estrogen receptor alpha: contribution to the pharmacophore of the agonists