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| 34845623 | Modeling the Structure, Dynamics, and Transformations of Proteins with the UNRES Force Field. | Methods in Molecular Biology | 2022 |
| 36591303 | Substitutions at position 263 within the von Willebrand factor type A domain determine the functionality of complement C2 protein. | | 2022 |
| 34899688 | Gain-of-Function Mutations R249C and S250C in Complement C2 Protein Increase C3 Deposition in the Presence of C-Reactive Protein. | Frontiers in Immunology | 2021 |
| 34299044 | Compatibility of Distinct Label-Free Proteomic Workflows in Absolute Quantification of Proteins Linked to the Oocyte Quality in Human Follicular Fluid. | International Journal of Molecular Sciences | 2021 |
| 31712280 | AfsK-Mediated Site-Specific Phosphorylation Regulates DnaA Initiator Protein Activity in Streptomyces coelicolor. | Journal of Bacteriology | 2020 |
| 32113979 | Gain-of-function mutation in complement C2 protein identified in a patient with aHUS. | Journal of Allergy and Clinical Immunology | 2020 |
| 31005069 | A general method for the derivation of the functional forms of the effective energy terms in coarse-grained energy functions of polymers. III. Determination of scale-consistent backbone-local and correlation potentials in the UNRES force field and force-f | Journal of Chemical Physics | 2019 |
| 29530678 | Human follicular fluid proteomic and peptidomic composition quantitative studies by SWATH-MS methodology. Applicability of high pH RP-HPLC fractionation. | Journal of Proteomics | 2019 |
| 29283263 | Correction to Maximum Likelihood Calibration of the UNRES Force Field for Simulation of Protein Structure and Dynamics. | Journal of Chemical Information and Modeling | 2018 |
| 29967418 | An analysis and evaluation of the WeFold collaborative for protein structure prediction and its pipelines in CASP11 and CASP12. | Sci Rep | 2018 |
| 28658951 | Qualitative and Quantitative Analysis of Proteome and Peptidome of Human Follicular Fluid Using Multiple Samples from Single Donor with LC-MS and SWATH Methodology. | Journal of Proteome Research | 2017 |
| 28809487 | Maximum Likelihood Calibration of the UNRES Force Field for Simulation of Protein Structure and Dynamics. | Journal of Chemical Information and Modeling | 2017 |
| 27746772 | Unique and Universal Features of Epsilonproteobacterial Origins of Chromosome Replication and DnaA-DnaA Box Interactions. | Frontiers in Microbiology | 2016 |
| 26100791 | Theoretical Studies of Interactions between O-Phosphorylated and Standard Amino-Acid Side-Chain Models in Water. | Journal of Physical Chemistry B | 2015 |
| 25486205 | Chelating ability and biological activity of hesperetin Schiff base. | Journal of Inorganic Biochemistry | 2015 |
| 26263302 | A Maximum-Likelihood Approach to Force-Field Calibration. | Journal of Chemical Information and Modeling | 2015 |
| 25024008 | A unified coarse-grained model of biological macromolecules based on mean-field multipole-multipole interactions. | Journal of Molecular Modeling | 2014 |
| 23496746 | Mean-field interactions between nucleic-acid-base dipoles can drive the formation of a double helix. | Physical Review Letters | 2013 |
| 24273465 | Improvement of the treatment of loop structures in the UNRES force field by inclusion of coupling between backbone- and side-chain-local conformational states. | Journal of Chemical Theory and Computation | 2013 |
| 23980156 | Lessons from application of the UNRES force field to predictions of structures of CASP10 targets. | Proceedings of the National Academy of Sciences of the United States of America | 2013 |
| 23085940 | The unusual stabilization of the Ni2+ and Cu2+ complexes with NSFRY. | Dalton Transactions | 2013 |
| 22497240 | Conformational dynamics of the trp-cage miniprotein at its folding temperature. | Journal of Physical Chemistry B | 2012 |
| 22475198 | Toward temperature-dependent coarse-grained potentials of side-chain interactions for protein folding simulations. II. Molecular dynamics study of pairs of different types of interactions in water at various temperatures. | Journal of Physical Chemistry B | 2012 |
| 22737044 | Simulation of the opening and closing of Hsp70 chaperones by coarse-grained molecular dynamics. | Journal of Chemical Theory and Computation | 2012 |
| 21723807 | Impact of histidine residue on chelating ability of 2'-deoxyriboadenosine. | Journal of Inorganic Biochemistry | 2011 |
| 20049918 | Mechanism of formation of the C-terminal beta-hairpin of the B3 domain of the immunoglobulin-binding protein G from Streptococcus. IV. Implication for the mechanism of folding of the parent protein. | Biopolymers | 2010 |
| 19847914 | Mechanism of formation of the C-terminal beta-hairpin of the B3 domain of the immunoglobulin binding protein G from Streptococcus. III. Dynamics of long-range hydrophobic interactions. | Proteins: Structure, Function and Bioinformatics | 2010 |
| 20568747 | Evidence, from simulations, of a single state with residual native structure at the thermal denaturation midpoint of a small globular protein. | Journal of the American Chemical Society | 2010 |
| 20305729 | Implementation of molecular dynamics and its extensions with the coarse-grained UNRES force field on massively parallel systems; towards millisecond-scale simulations of protein structure, dynamics, and thermodynamics. | Journal of Chemical Theory and Computation | 2010 |
| 20494507 | beta-hairpin-forming peptides; models of early stages of protein folding. | Biophysical Chemistry | 2010 |
| 18767128 | Conformational studies of the C-terminal 16-amino-acid-residue fragment of the B3 domain of the immunoglobulin binding protein G from Streptococcus. | Biopolymers | 2009 |
| 19556395 | Towards temperature-dependent coarse-grained potentials of side-chain interactions for protein folding simulations. I: molecular dynamics study of a pair of methane molecules in water at various temperatures. | Protein Engineering, Design and Selection | 2009 |
| 19089955 | Mechanism of formation of the C-terminal beta-hairpin of the B3 domain of the immunoglobulin binding protein G from Streptococcus. I. Importance of hydrophobic interactions in stabilization of beta-hairpin structure. | Proteins: Structure, Function and Bioinformatics | 2009 |
| 19241469 | Mechanism of formation of the C-terminal beta-hairpin of the B3 domain of the immunoglobulin binding protein G from Streptococcus. II. Interplay of local backbone conformational dynamics and long-range hydrophobic interactions in hairpin formation. | Proteins: Structure, Function and Bioinformatics | 2009 |
| 19329186 | Impact of ring size on the copper(II) coordination abilities of cyclic tetrapeptides. | Journal of Inorganic Biochemistry | 2009 |
| 18215513 | Computational techniques for efficient conformational sampling of proteins. | Current Opinion in Structural Biology | 2008 |
| 18655142 | Conformational studies of the alpha-helical 28-43 fragment of the B3 domain of the immunoglobulin binding protein G from Streptococcus. | Biopolymers | 2008 |
| 18700740 | Simple physics-based analytical formulas for the potentials of mean force for the interaction of amino acid side chains in water. IV. Pairs of different hydrophobic side chains. | Journal of Physical Chemistry B | 2008 |
| 17388418 | Simple physics-based analytical formulas for the potentials of mean force for the interaction of amino acid side chains in water. 3. Calculation and parameterization of the potentials of mean force of pairs of identical hydrophobic side chains. | Journal of Physical Chemistry B | 2007 |
| 26633198 | Dynamic Formation and Breaking of Disulfide Bonds in Molecular Dynamics Simulations with the UNRES Force Field. | Journal of Chemical Theory and Computation | 2007 |
| 17713937 | Potential of mean force of hydrophobic association: dependence on solute size. | Journal of Physical Chemistry B | 2007 |
| 17215044 | The copper(II) coordination abilities of three novel cyclic tetrapeptides with -His-Xaa-His- motif. | Journal of Inorganic Biochemistry | 2007 |
| 17201450 | Modification and optimization of the united-residue (UNRES) potential energy function for canonical simulations. I. Temperature dependence of the effective energy function and tests of the optimization method with single training proteins. | Journal of Physical Chemistry B | 2007 |
| 15894609 | Physics-based protein-structure prediction using a hierarchical protocol based on the UNRES force field: assessment in two blind tests. | Proceedings of the National Academy of Sciences of the United States of America | 2005 |
| 16088925 | Protein structure prediction with the UNRES force-field using Replica-Exchange Monte Carlo-with-Minimization; Comparison with MCM, CSA, and CFMC. | Journal of Computational Chemistry | 2005 |
| 14985535 | Prediction of the structures of proteins with the UNRES force field, including dynamic formation and breaking of disulfide bonds. | Protein Engineering, Design and Selection | 2004 |
| 15388862 | A united residue force-field for calcium-protein interactions. | Protein Science | 2004 |
| 15271516 | Coordination ability of pentapeptides with two dehydro-amino acid residues inserted into their sequences. | Journal of Inorganic Biochemistry | 2004 |
| 15353359 | The protein folding problem: global optimization of the force fields. | Frontiers in Bioscience - Landmark | 2004 |
| 15157085 | Disulfide bonding arrangements in active forms of the somatomedin B domain of human vitronectin. | Biochemistry | 2004 |