|
| 35167071 | Probing Protein Aggregation Using the Coarse-Grained UNRES Force Field. | Methods in Molecular Biology | 2022 |
| 33270217 | Dynamic and conformational switching in proteins. | Biopolymers | 2021 |
| 33909430 | Investigation of Phosphorylation-Induced Folding of an Intrinsically Disordered Protein by Coarse-Grained Molecular Dynamics. | Journal of Chemical Theory and Computation | 2021 |
| 32759212 | The structure of protein dynamic space. | Proceedings of the National Academy of Sciences of the United States of America | 2020 |
| 32392067 | Curvature and Torsion of Protein Main Chain as Local Order Parameters of Protein Unfolding. | Journal of Physical Chemistry B | 2020 |
| 31928007 | Assessing the One-Bond C-H Spin-Spin Coupling Constants in Proteins: Pros and Cons of Different Approaches. | Journal of Physical Chemistry B | 2020 |
| 32271570 | New Insights into Folding, Misfolding, and Nonfolding Dynamics of a WW Domain. | Journal of Physical Chemistry B | 2020 |
| 31134683 | Sequence-specific dynamic information in proteins. | Proteins: Structure, Function and Bioinformatics | 2019 |
| 34079958 | Outline of an experimental design aimed to detect a protein A mirror image in solution. | | 2019 |
| 28132613 | Coupled molecular dynamics and continuum electrostatic method to compute the ionization pKa's of proteins as a function of pH. Test on a large set of proteins. | Journal of Biomolecular Structure and Dynamics | 2018 |
| 28884632 | A comprehensive analysis of the computed tautomer fractions of the imidazole ring of histidines in Loligo vulgaris. | Journal of Biomolecular Structure and Dynamics | 2018 |
| 30306573 | A new protein nucleic-acid coarse-grained force field based on the UNRES and NARES-2P force fields. | Journal of Computational Chemistry | 2018 |
| 29967418 | An analysis and evaluation of the WeFold collaborative for protein structure prediction and its pipelines in CASP11 and CASP12. | Sci Rep | 2018 |
| 29940109 | Dependence of the Formation of Tau and Aβ Peptide Mixed Aggregates on the Secondary Structure of the N-Terminal Region of Aβ. | Journal of Physical Chemistry B | 2018 |
| 29451381 | From a Highly Disordered to a Metastable State: Uncovering Insights of α-Synuclein. | ACS Chemical Neuroscience | 2018 |
| 29446945 | Statistical Model To Decipher Protein Folding/Unfolding at a Local Scale. | Journal of Physical Chemistry B | 2018 |
| 29378960 | Lysosomal enzyme tripeptidyl peptidase 1 destabilizes fibrillar Aβ by multiple endoproteolytic cleavages within the β-sheet domain. | Proceedings of the National Academy of Sciences of the United States of America | 2018 |
| 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 |
| 27584585 | Eliminating a Protein Folding Intermediate by Tuning a Local Hydrophobic Contact. | Journal of Physical Chemistry B | 2017 |
| 28809487 | Maximum Likelihood Calibration of the UNRES Force Field for Simulation of Protein Structure and Dynamics. | Journal of Chemical Information and Modeling | 2017 |
| 28942648 | Dynamics of Disulfide-Bond Disruption and Formation in the Thermal Unfolding of Ribonuclease A. | Journal of Chemical Theory and Computation | 2017 |
| 28919647 | Limiting Values of the one-bond C-H Spin-Spin Coupling Constants of the Imidazole Ring of Histidine at High-pH. | Journal of Molecular Structure | 2017 |
| 28000446 | Simple Physics-Based Analytical Formulas for the Potentials of Mean Force of the Interaction of Amino Acid Side Chains in Water. VII. Charged-Hydrophobic/Polar and Polar-Hydrophobic/Polar Side Chains. | Journal of Physical Chemistry B | 2017 |
| 28143938 | Sequence-, structure-, and dynamics-based comparisons of structurally homologous CheY-like proteins. | Proceedings of the National Academy of Sciences of the United States of America | 2017 |
| 28095675 | Elucidating Important Sites and the Mechanism for Amyloid Fibril Formation by Coarse-Grained Molecular Dynamics. | ACS Chemical Neuroscience | 2017 |
| 27547559 | Detection of methylation, acetylation and glycosylation of protein residues by monitoring (13)C chemical-shift changes: A quantum-chemical study. | PeerJ | 2016 |
| 26811481 | George Hess: A scientific appreciation. | Proceedings of the National Academy of Sciences of the United States of America | 2016 |
| 27378298 | Performance of protein-structure predictions with the physics-based UNRES force field in CASP11. | | 2016 |
| 27179474 | Molecular dynamics of protein A and a WW domain with a united-residue model including hydrodynamic interaction. | Journal of Chemical Physics | 2016 |
| 26831093 | Global informatics and physical property selection in protein sequences. | Proceedings of the National Academy of Sciences of the United States of America | 2016 |
| 26100791 | Theoretical Studies of Interactions between O-Phosphorylated and Standard Amino-Acid Side-Chain Models in Water. | Journal of Physical Chemistry B | 2015 |
| 25848034 | Alternative approach to protein structure prediction based on sequential similarity of physical properties. | Proceedings of the National Academy of Sciences of the United States of America | 2015 |
| 25412765 | Common functionally important motions of the nucleotide-binding domain of Hsp70. | Proteins: Structure, Function and Bioinformatics | 2015 |
| 25866611 | New Insights into Protein (Un)Folding Dynamics. | Journal of Physical Chemistry Letters | 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 |
| 25973573 | Molecular modeling of the binding modes of the iron-sulfur protein to the Jac1 co-chaperone from Saccharomyces cerevisiae by all-atom and coarse-grained approaches. | Proteins: Structure, Function and Bioinformatics | 2015 |
| 25850343 | My 65 years in protein chemistry. | Quarterly Reviews of Biophysics | 2015 |
| 26723596 | Optimization of a Nucleic Acids united-RESidue 2-Point model (NARES-2P) with a maximum-likelihood approach. | Journal of Chemical Physics | 2015 |
| 26483482 | Preventing fibril formation of a protein by selective mutation. | Proceedings of the National Academy of Sciences of the United States of America | 2015 |
| 26052263 | Physics-Based Potentials for Coarse-Grained Modeling of Protein-DNA Interactions. | Journal of Chemical Theory and Computation | 2015 |
| 25066622 | Factors affecting the computation of the 13C shielding in disaccharides. | Journal of Computational Chemistry | 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 |
| 25400520 | DNA Duplex Formation with a Coarse-Grained Model. | Journal of Chemical Theory and Computation | 2014 |
| 24403017 | Are accurate computations of the 13C' shielding feasible at the DFT level of theory? | Journal of Computational Chemistry | 2014 |
| 24437917 | Kinks, loops, and protein folding, with protein A as an example. | Journal of Chemical Physics | 2014 |
| 24912167 | Accounting for a mirror-image conformation as a subtle effect in protein folding. | Proceedings of the National Academy of Sciences of the United States of America | 2014 |
| 24677212 | WeFold: a coopetition for protein structure prediction. | Proteins | 2014 |
| 25024008 | A unified coarse-grained model of biological macromolecules based on mean-field multipole-multipole interactions. | Journal of Molecular Modeling | 2014 |
| 24706836 | Homolog detection using global sequence properties suggests an alternate view of structural encoding in protein sequences. | Proceedings of the National Academy of Sciences of the United States of America | 2014 |
| 24839411 | Revised Backbone-Virtual-Bond-Angle Potentials to Treat the l- and d-Amino Acid Residues in the Coarse-Grained United Residue (UNRES) Force Field. | Journal of Chemical Theory and Computation | 2014 |