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Yury N. Vorobjev

Discrimination between native and intentionally misfolded conformations of proteins: ES/IS, a new method for calculating conformational free energy that uses both dynamics simulations with an explicit solvent and an implicit solvent continuum model
1998 · Yury N. Vorobjev, Juan Carlos Almagro, et al. · Proteins Structure Function and Bioinformatics · 145
Discrimination between native and intentionally misfolded conformations of proteins: ES/IS, a new method for calculating conformational free energy that uses both dynamics simulations with an explicit solvent and an implicit solvent continuum model
1998 · Yury N. Vorobjev, Juan Carlos Almagro, et al. · Proteins Structure Function and Bioinformatics · 136
A fast adaptive multigrid boundary element method for macromolecular electrostatic computations in a solvent
1997 · Yury N. Vorobjev, Harold A. Scheraga · Journal of Computational Chemistry · 131
SIMS: computation of a smooth invariant molecular surface
1997 · Y.N. Vorobjev, J. Hermans · Biophysical Journal · 115
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Assessing the fractions of tautomeric forms of the imidazole ring of histidine in proteins as a function of pH
2011 · Jorge A. Vila, Yelena A. Arnautova, et al. · Proceedings of the National Academy of Sciences · 95
Coupling Between Folding and Ionization Equilibria: Effects of pH on the Conformational Preferences of Polypeptides
1996 · Daniel R. Ripoll, Yury N. Vorobjev, et al. · Journal of Molecular Biology · 88
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ES/IS: Estimation of conformational free energy by combining dynamics simulations with explicit solvent with an implicit solvent continuum model
1999 · Yury N. Vorobjev, Jan Hermans · Biophysical Chemistry · 86
A combined iterative and boundary-element approach for solution of the nonlinear Poisson-Boltzmann equation
1992 · Y. N. Vorobjev, J. A. Grant, et al. · Journal of the American Chemical Society · 72
Free energies of protein decoys provide insight into determinants of protein stability
2001 · Yury N. Vorobjev, Jan Hermans · Protein Science · 50
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Evaluation of the Gibbs Free Energy Changes and Melting Temperatures of DNA/DNA Duplexes Using Hybridization Enthalpy Calculated by Molecular Dynamics Simulation
2015 · Alexander A. Lomzov, Yury N. Vorobjev, et al. · The Journal of Physical Chemistry B · 47
Free energies of protein decoys provide insight into determinants of protein stability
2002 · Yury N. Vorobjev, Jan Hermans · Protein Science · 44
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Theoretical Modeling of Electrostatic Effects of Titratable Side Chain Groups on Protein Conformation in a Polar Ionic Solution. 2. pH-Induced Helix-Coil Transition of Poly(L-lysine) in Water and Methanol Ionic Solutions
1995 · Yury N. Vorobjev, Harold A. Scheraga, et al. · The Journal of Physical Chemistry · 41
Advances in Implicit Models of Water Solvent to Compute Conformational Free Energy and Molecular Dynamics of Proteins at Constant pH
2011 · Yury N. Vorobjev · Advances in protein chemistry and structural biology · 38
A Critical Analysis of Methods of Calculation of a Potential in Simulated Polar Liquids: Strong Arguments in Favor of “Molecule-Based” Summation and of Vacuum Boundary Conditions in Ewald Summation
1999 · Yury N. Vorobjev, Jan Hermans · The Journal of Physical Chemistry B · 38
Role of Hydrophobicity and Solvent-Mediated Charge-Charge Interactions in Stabilizing α-Helices
1998 · Jorge A. Vila, Daniel R. Ripoll, et al. · Biophysical Journal · 36
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FAMBE-pH: A Fast and Accurate Method to Compute the Total Solvation Free Energies of Proteins
2008 · Yury N. Vorobjev, Jorge A. Vila, et al. · The Journal of Physical Chemistry B · 32
Theoretical Modeling of Electrostatic Effects of Titratable Side-Chain Groups on Protein Conformation in a Polar Ionic Solution. 1. Potential of Mean Force between Charged Lysine Residues and Titration of Poly(L-lysine) in 95% Methanol Solution
1994 · Yury N. Vorobjev, Harold A. Scheraga, et al. · The Journal of Physical Chemistry · 31
MDTRA: A molecular dynamics trajectory analyzer with a graphical user interface
2012 · Alexander V. Popov, Yury N. Vorobjev, et al. · Journal of Computational Chemistry · 30
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Conformational Dynamics of Abasic DNA upon Interactions with AP Endonuclease 1 Revealed by Stopped-Flow Fluorescence Analysis
2012 · Lyubov Yu. Kanazhevskaya, Vladimir V. Koval, et al. · Biochemistry · 27
Identifying native‐like protein structures with scoring functions based on all‐atom ECEPP force fields, implicit solvent models and structure relaxation
2009 · Yelena A. Arnautova, Yury N. Vorobjev, et al. · Proteins Structure Function and Bioinformatics · 27
Adenine and guanine recognition of stop codon is mediated by different N domain conformations of translation termination factor eRF1
2011 · K. N. Bulygin, Y. S. Khairulina, et al. · Nucleic Acids Research · 25
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Potential of mean force of water–proton bath and molecular dynamic simulation of proteins at constant pH
2012 · Yury N. Vorobjev · Journal of Computational Chemistry · 20
Role of Ionizing Amino Acid Residues in the Process of DNA Binding by Human AP Endonuclease 1 and in Its Catalysis
2019 · Irina V. Alekseeva, Artemiy S. Bakman, et al. · The Journal of Physical Chemistry B · 19
Blind docking method combining search of low‐resolution binding sites with ligand pose refinement by molecular dynamics‐based global optimization
2009 · Yury N. Vorobjev · Journal of Computational Chemistry · 19
Roles of Active-Site Amino Acid Residues in Specific Recognition of DNA Lesions by Human 8-Oxoguanine-DNA Glycosylase (OGG1)
2019 · Timofey E. Tyugashev, Yury N. Vorobjev, et al. · The Journal of Physical Chemistry B · 16
Works count: 46
Citation count: 1,493
H-index: 21
I10-index: 30
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