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| 37676597 | Molecular Dynamics Simulation-Based Prediction of Glycosaminoglycan Interactions with Drug Molecules. | | 2024 |
| 37499721 | Insights into the interaction of human serum albumin with ionic liquids - Thermodynamic, spectroscopic and molecular modelling studies. | | 2023 |
| 38018494 | Detecting protein-ligand interactions with nitroxide based paramagnetic cosolutes. | | 2023 |
| 37587433 | Extension of the SUGRES-1P Coarse-Grained Model of Polysaccharides to Heparin. | | 2023 |
| 37905971 | Impact of AlphaFold on structure prediction of protein complexes: The CASP15-CAPRI experiment. | Proteins | 2023 |
| 37694394 | Ligand binding of interleukin-8: a comparison of glycosaminoglycans and acidic peptides. | | 2023 |
| 36830616 | Molecular Dynamics-Based Comparative Analysis of Chondroitin and Dermatan Sulfates. | | 2023 |
| 37077382 | Cyclic Peptidic Furin Inhibitors Developed by Combinatorial Chemistry. | | 2023 |
| 36707295 | In silico insights into procathepsin S maturation mediated by glycosaminoglycans. | | 2023 |
| 37013001 | Computational modeling of the molecular basis for the calcium-dependence of the mannuronan C-5 epimerase AvAlgE6 from . | | 2023 |
| 36809739 | Investigation of hexacyanoferrate(II)/(III) charge-dependent interactions with bovine and human serum albumins. | | 2023 |
| 37006755 | Glycosaminoglycans: What Remains To Be Deciphered? | | 2023 |
| 36989082 | Solvent Model Benchmark for Molecular Dynamics of Glycosaminoglycans. | | 2023 |
| 36662469 | Repulsive Scaling Replica Exchange Molecular Dynamics in Modeling Protein-Glycosaminoglycan Complexes. | | 2023 |
| 35167945 | Modulation of the expression and activity of cathepsin S in reconstructed human skin by neohesperidin dihydrochalcone. | Matrix Biology | 2022 |
| 35841830 | Impact of calcium ions on the structural and dynamic properties of heparin oligosaccharides by computational analysis. | Comput Biol Chem | 2022 |
| 35566005 | Molecular Dynamics Approaches Dissect Molecular Mechanisms Underlying Methylene Blue-Glycosaminoglycan Interactions. | Molecules | 2022 |
| 36280393 | Rapamycin-induced autophagy in osteosarcoma cells is mediated via the biglycan/Wnt/β-catenin signaling axis. | American Journal of Physiology - Cell Physiology | 2022 |
| 35810558 | Molecular dynamics-based descriptors of 3-O-Sulfated Heparan sulfate as contributors of protein binding specificity. | | 2022 |
| 35748949 | Coarse-grained modeling of the calcium, sodium, magnesium and potassium cations interacting with proteins. | Journal of Molecular Modeling | 2022 |
| 35798429 | Binding of heparan sulfate to human cystatin C modulates inhibition of cathepsin L: Putative consequences in mucopolysaccharidosis. | Carbohydr Polym | 2022 |
| 35796487 | Explicit solvent repulsive scaling replica exchange molecular dynamics (RS-REMD) in molecular modeling of protein-glycosaminoglycan complexes. | Journal of Computational Chemistry | 2022 |
| 35597161 | Induced circular dichroism as a tool to monitor the displacement of ligands between albumins. | | 2022 |
| 35267503 | Biglycan Interacts with Type I Insulin-like Receptor (IGF-IR) Signaling Pathway to Regulate Osteosarcoma Cell Growth and Response to Chemotherapy. | Cancers | 2022 |
| 35183977 | In silico and in vitro mapping of specificity patterns of glycosaminoglycans towards cysteine cathepsins B, L, K, S and V. | Journal of Molecular Graphics and Modelling | 2022 |
| 35152187 | Modeling glycosaminoglycan-protein complexes. | Current Opinion in Structural Biology | 2022 |
| 34419932 | Modeling protein structures with the coarse-grained UNRES force field in the CASP14 experiment. | Journal of Molecular Graphics and Modelling | 2021 |
| 33640788 | Acute phase α-acid glycoprotein as a siderophore-capturing component of the human plasma: A molecular modeling study. | Journal of Molecular Graphics and Modelling | 2021 |
| 33682874 | Further analyses of APRIL/APRIL-receptor/glycosaminoglycan interactions by biochemical assays linked to computational studies. | Glycobiology | 2021 |
| 34271478 | Computational insights into heparin-small molecule interactions: Evaluation of the balance between stacking and non-stacking binding modes. | Carbohydrate Research | 2021 |
| 33514968 | Computational insights into the role of calcium ions in protein-glycosaminoglycan systems. | Physical Chemistry Chemical Physics | 2021 |
| 33882203 | Investigation of the structure of regulatory proteins interacting with glycosaminoglycans by combining NMR spectroscopy and molecular modeling - the beginning of a wonderful friendship. | Biological Chemistry | 2021 |
| 33768554 | Evaluation of replica exchange with repulsive scaling approach for docking glycosaminoglycans. | Journal of Computational Chemistry | 2021 |
| 33822050 | Insights into the roles of charged residues in substrate binding and mode of action of mannuronan C-5 epimerase AlgE4. | Glycobiology | 2021 |
| 33375794 | Role of Oligosaccharide Chain Polarity in Protein-Glycosaminoglycan Interactions. | Journal of Chemical Information and Modeling | 2021 |
| 33278943 | The abnormal accumulation of heparan sulfate in patients with mucopolysaccharidosis prevents the elastolytic activity of cathepsin V. | Carbohydr Polym | 2021 |
| 34572563 | Advanced Molecular Dynamics Approaches to Model a Tertiary Complex APRIL/TACI with Long Glycosaminoglycans. | Biomolecules | 2021 |
| 34572559 | Theory and Practice of Coarse-Grained Molecular Dynamics of Biologically Important Systems. | Biomolecules | 2021 |
| 34401710 | The potential role of glycosaminoglycans in serum amyloid A fibril formation by approaches. | Matrix Biology Plus | 2021 |
| 34494837 | Modeling Protein-Glycosaminoglycan Complexes: Does the Size Matter? | Journal of Chemical Information and Modeling | 2021 |
| 34770974 | Effect of Tetraphenylborate on Physicochemical Properties of Bovine Serum Albumin. | Molecules | 2021 |
| 32727022 | Probing the Proton-Loading Site of Cytochrome Oxidase Using Time-Resolved Fourier Transform Infrared Spectroscopy. | Molecules | 2020 |
| 31740411 | Rat cathepsin K: Enzymatic specificity and regulation of its collagenolytic activity. | Biochimica et Biophysica Acta - Proteins and Proteomics | 2020 |
| 31785163 | Coarse-grained and atomic resolution biomolecular docking with the ATTRACT approach. | Proteins: Structure, Function and Bioinformatics | 2020 |
| 32169666 | Truncation of Huia versabilis Bowman-Birk inhibitor increases its selectivity, matriptase-1 inhibitory activity and proteolytic stability. | | 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 |
| 32155059 | Role of Glycosaminoglycans in Procathepsin B Maturation: Molecular Mechanism Elucidated by a Computational Study. | Journal of Chemical Information and Modeling | 2020 |
| 33302623 | Mind Your Dye: The Amyloid Sensor Thioflavin T Interacts with Sulfated Glycosaminoglycans Used To Induce Cross-β-Sheet Motifs. | Journal of Physical Chemistry B | 2020 |
| 30768805 | Modeling large protein-glycosaminoglycan complexes using a fragment-based approach. | Journal of Computational Chemistry | 2019 |
| 31796757 | Meglumine acridone acetate, the ionic salt of CMA and N-methylglucamine, induces apoptosis in human PBMCs via the mitochondrial pathway. | Scientific Reports | 2019 |