|
| 37371521 | Long-Time Dynamics of Selected Molecular-Motor Components Using a Physics-Based Coarse-Grained Approach. | | 2023 |
| 36378078 | Optimization of parallel implementation of UNRES package for coarse-grained simulations to treat large proteins. | Journal of Computational Chemistry | 2023 |
| 37905971 | Impact of AlphaFold on structure prediction of protein complexes: The CASP15-CAPRI experiment. | Proteins | 2023 |
| 37889895 | Toward Consistent Physics-Based Modeling of Local Backbone Structures and Chirality Change of Proteins in Coarse-Grained Approaches. | | 2023 |
| 37788237 | Pragmatic Coarse-Graining of Proteins: Models and Applications. | | 2023 |
| 37338530 | UNRES-GPU for physics-based coarse-grained simulations of protein systems at biological time- and size-scales. | | 2023 |
| 36799410 | Long-time scale simulations of virus-like particles from three human-norovirus strains. | | 2023 |
| 34845623 | Modeling the Structure, Dynamics, and Transformations of Proteins with the UNRES Force Field. | Methods in Molecular Biology | 2022 |
| 36009034 | Prediction of Aggregation of Biologically-Active Peptides with the UNRES Coarse-Grained Model. | Biomolecules | 2022 |
| 35408482 | Theoretical Investigation of the Coronavirus SARS-CoV-2 (COVID-19) Infection Mechanism and Selectivity. | Molecules | 2022 |
| 36589235 | Improvements and new functionalities of UNRES server for coarse-grained modeling of protein structure, dynamics, and interactions. | | 2022 |
| 35025490 | Influence of Temperature and Salt Concentration on the Hydrophobic Interactions of Adamantane and Hexane. | Journal of Physical Chemistry B | 2022 |
| 34419932 | Modeling protein structures with the coarse-grained UNRES force field in the CASP14 experiment. | Journal of Molecular Graphics and Modelling | 2021 |
| 33079977 | UNRES-Dock-protein-protein and peptide-protein docking by coarse-grained replica-exchange MD simulations. | | 2021 |
| 34572559 | Theory and Practice of Coarse-Grained Molecular Dynamics of Biologically Important Systems. | Biomolecules | 2021 |
| 35004845 | Recent Developments in Data-Assisted Modeling of Flexible Proteins. | Frontiers in Molecular Biosciences | 2021 |
| 31977133 | Assessment of chemical-crosslink-assisted protein structure modeling in CASP13. | Proteins | 2020 |
| 32145953 | Scale-consistent approach to the derivation of coarse-grained force fields for simulating structure, dynamics, and thermodynamics of biopolymers. | Progress in Molecular Biology and Translational Science | 2020 |
| 32064469 | Hydrophobic hydration and pairwise hydrophobic interaction of Lennard-Jones and Mie particles in different water models. | Physical Chemistry Chemical Physics | 2020 |
| 31999919 | Improved Consensus-Fragment Selection in Template-Assisted Prediction of Protein Structures with the UNRES Force Field in CASP13. | J Chem Inf Model | 2020 |
| 32035448 | Extension of the force-matching method to coarse-grained models with axially symmetric sites to produce transferable force fields: Application to the UNRES model of proteins. | Journal of Chemical Physics | 2020 |
| 30945217 | Formation of Secondary and Supersecondary Structure of Proteins as a Result of Coupling Between Local and Backbone-Electrostatic Interactions: A View Through Cluster-Cumulant Scope. | Methods in Molecular Biology | 2019 |
| 31569265 | Assessment of chemical-crosslink-assisted protein structure modeling in CASP13. | Proteins | 2019 |
| 31612567 | Blind prediction of homo- and hetero-protein complexes: The CASP13-CAPRI experiment. | Proteins | 2019 |
| 31557781 | Processing and Maturation of Cathepsin C Zymogen: A Biochemical and Molecular Modeling Analysis. | International Journal of Molecular Sciences | 2019 |
| 31454484 | Extension of the UNRES Coarse-Grained Force Field to Membrane Proteins in the Lipid Bilayer. | Journal of Physical Chemistry B | 2019 |
| 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 |
| 31376733 | Evaluation of the scale-consistent UNRES force field in template-free prediction of protein structures in the CASP13 experiment. | Journal of Molecular Graphics and Modelling | 2019 |
| 29677198 | Impact of selected amino acids of HP0377 (Helicobacter pylori thiol oxidoreductase) on its functioning as a CcmG (cytochrome c maturation) protein and Dsb (disulfide bond) isomerase. | PLoS ONE | 2018 |
| 29967418 | An analysis and evaluation of the WeFold collaborative for protein structure prediction and its pipelines in CASP11 and CASP12. | Sci Rep | 2018 |
| 29860162 | Use of the UNRES force field in template-assisted prediction of protein structures and the refinement of server models: Test with CASP12 targets. | J Mol Graph Model | 2018 |
| 29718313 | UNRES server for physics-based coarse-grained simulations and prediction of protein structure, dynamics and thermodynamics. | Nucleic Acids Research | 2018 |
| 29134679 | Prediction of protein structure with the coarse-grained UNRES force field assisted by small X-ray scattering data and knowledge-based information. | Proteins: Structure, Function and Bioinformatics | 2018 |
| 28120123 | Polymerization of chloro-p-xylylenes, quantum-chemical study. | Journal of Molecular Modeling | 2017 |
| 28940211 | Ergodicity and model quality in template-restrained canonical and temperature/Hamiltonian replica exchange coarse-grained molecular dynamics simulations of proteins. | J Comput Chem | 2017 |
| 27615507 | Role of the sulfur to α-carbon thioether bridges in thurincin H. | Journal of Biomolecular Structure and Dynamics | 2017 |
| 27749055 | Use of Restraints from Consensus Fragments of Multiple Server Models To Enhance Protein-Structure Prediction Capability of the UNRES Force Field. | J Chem Inf Model | 2016 |
| 27378298 | Performance of protein-structure predictions with the physics-based UNRES force field in CASP11. | | 2016 |
| 27326540 | Bladder cancer detection using a peptide substrate of the 20S proteasome. | | 2016 |
| 26618612 | Photophysical properties of symmetrically substituted diarylacetylenes and diarylbuta-1,3-diynes. | Photochemical and Photobiological Sciences | 2016 |
| 26536160 | Experimental and theoretical studies of spectroscopic properties of simple symmetrically substituted diphenylbuta-1,3-diyne derivatives. | Photochemical and Photobiological Sciences | 2015 |
| 25412765 | Common functionally important motions of the nucleotide-binding domain of Hsp70. | Proteins: Structure, Function and Bioinformatics | 2015 |
| 25691834 | Physics-based potentials for the coupling between backbone- and side-chain-local conformational states in the UNited RESidue (UNRES) force field for protein simulations. | Journal of Chemical Theory and Computation | 2015 |
| 25965196 | Prediction of Protein Structure by Template-Based Modeling Combined with the UNRES Force Field. | J Chem Inf Model | 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 |
| 25489078 | Folding kinetics of WW domains with the united residue force field for bridging microscopic motions and experimental measurements. | Proceedings of the National Academy of Sciences of the United States of America | 2014 |
| 24723330 | Rapid communication: Computational simulation and analysis of a candidate for the design of a novel silk-based biopolymer. | Biopolymers | 2014 |
| 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 |
| 22990392 | Photophysical properties of 3-[2-(N-phenylcarbazolyl)benzoxazol-5-yl]alanine derivatives--experimental and theoretical studies. | Photochemical and Photobiological Sciences | 2013 |