Publications
Export 28 results:
Author Title [ Type] Year Filters: First Letter Of Last Name is D [Clear All Filters]
Pages
Human telomerase model shows the role of the TEN domain in advancing the double helix for the next polymerization stepProceedings of the National Academy of Sciences of the United States of America 108, 9443–8, 2011.
13,13-Dimethyl-des-C,D analogues of (20S)-1α,25-dihydroxy-2-methylene-19-norvitamin D₃ (2MD): total synthesis, docking to the VDR, and biological evaluationBioorganic & Medicinal Chemistry 19, 7205-20, 2011.
2-Ethyl and 2-ethylidene analogues of 1alpha,25-dihydroxy-19-norvitamin D(3): synthesis, conformational analysis, biological activities, and docking to the modeled rVDR ligand binding domain.Journal of Medicinal Chemistry 45, 3366-80, 2002.
2-Methylene analogs of 1alpha-hydroxy-19-norvitamin D3: synthesis, biological activities and docking to the ligand binding domain of the rat vitamin D receptorThe Journal of Steroid Biochemistry and Molecular Biology 89-90, 13-7, 2004.
Coarse-Grained Modeling of the Interplay between Secondary Structure Propensities and Protein Fold AssemblyJournal of Chemical Theory and Computation 14 (4), 2277–2287, 2018.
Combining Structural Aggregation Propensity and Stability Predictions To Redesign Protein SolubilityMolecular Pharmaceutics 15, 3846-3859, 2018.
Design and synthesis of novel 1H-tetrazol-5-amine based potent antimicrobial agents: DNA topoisomerase IV and gyrase affinity evaluation supported by molecular docking studiesEuropean Journal of Medicinal Chemistry 156, 631 - 640, 2018.
Docking interactions determine early cleavage events in insulin proteolysis by pepsin: Experiment and simulationInternational Journal of Biological Macromolecules 149, 1151-1160, 2020.
Docking interactions determine early cleavage events in insulin proteolysis by pepsin: Experiment and simulationInternational Journal of Biological Macromolecules 149, 1151-1160, 2020.
Mechanical unfolding of acylphosphatase studied by single-molecule force spectroscopy and MD simulationsBiophys J 99, 238-47, 2010.
A minimal proteinlike lattice model: an alpha-helix motifThe Journal of Chemical Physics 122, 214915, 2005.
Model of three-dimensional structure of VDR bound with Vitamin D3 analogs substituted at carbon-2The Journal of Steroid Biochemistry and Molecular Biology 89-90, 107-10, 2004.
Modeling of Protein Structural Flexibility and Large-Scale Dynamics: Coarse-Grained Simulations and Elastic Network ModelsInternational Journal of Molecular Sciences 19, , 2018.
Modelowanie Molekularne Białek Błonowych (Molecular Modeling of Membrane Proteins)Na pograniczu chemii i biologii (At the Treshold of Chemistry and Biology) vol. XXVIII, H. Koroniak, J. Barciszewski eds, Wydawnictwo Naukowe UAM, Poznań 223-238, 2012.
Prediction of the optimal set of contacts to fold the smallest knotted protein.J Phys Condens Matter 27, 354109, 2015.
Protein-peptide molecular docking with large-scale conformational changes: the p53-MDM2 interactionScientific Reports 6, 37532, 2016.
SURPASS Low-Resolution Coarse-Grained Protein ModelingJournal of Chemical Theory and Computation 13(11), 5766-5779, 2017.
Synthesis, structural and antimicrobial studies of type II topoisomerase-targeted copper(II) complexes of 1,3-disubstituted thiourea ligandsJournal of Inorganic Biochemistry 182, 61 - 70, 2018.