Publications - Call: Pr010
2024
[21] Computational Workflow for Refining AlphaFold Models in Drug Design Using Kinetic and Thermodynamic Binding Calculations: A Case Study for the Unresolved Inactive Human Adenosine A3 Receptor (, and ), In The Journal of Physical Chemistry B, volume 128, . [bibtex] [url] [doi]
[20] Molecular simulations of doxorubicin complexed with native and modified cyclodextrins in water (), In Journal of Physics: Conference Series, volume 2701, . [bibtex] [url] [doi]
2023
[19] Top-tuning on transformers and data augmentation transferring for boosting the performance of weed identification (, , , and ), In Computers and Electronics in Agriculture, volume 211, . [bibtex] [url] [doi]
[18] Benchmarking and scaling of deep learning models for land cover image classification (), In ISPRS Journal of Photogrammetry and Remote Sensing, volume 195, . [bibtex] [url] [doi]
[17] Comparative Study of Receptor-, Receptor State-, and Membrane-Dependent Cholesterol Binding Sites in A2A and A1 Adenosine Receptors Using Coarse-Grained Molecular Dynamics Simulations (), In Journal of Chemical Information and Modeling, volume 63, . [bibtex] [url] [doi]
[16] Synthesis and Testing of Analogs of the Tuberculosis Drug Candidate SQ109 against Bacteria and Protozoa: Identification of Lead Compounds against Mycobacterium abscessus and Malaria Parasites (), In ACS Infectious Diseases, volume 9, . [bibtex] [url] [doi]
[15] Bacterial Lectin FimH and Its Aggregation Hot-Spots: An Alternative Strategy against Uropathogenic Escherichia coli (), In Pharmaceutics, volume 15, . [bibtex] [url] [doi]
[14] An aerosol odyssey: Navigating nutrient flux changes to marine ecosystems (, , , , , , , , , , , and ), In Elementa: Science of the Anthropocene, volume 11, . [bibtex] [url] [doi]
2022
[13] Fabrication and characterisation of ZnO@TiO2 core/shell nanowires using a versatile kinetics-controlled coating growth method (, , , , , , , , and ), In Applied Surface Science, volume 594, . [bibtex] [url] [doi]
[12] Complexation of a Polyelectrolyte Brush with Oppositely Charged AB Diblock Copolymers: The Zipper Brushes (, and ), In Macromolecular Theory and Simulations, volume n/a, . [bibtex] [url] [doi]
[11] A hybrid Lagrangian–Eulerian flow solver applied to elastically mounted cylinders in tandem arrangement (, and ), In Journal of Fluids and Structures, volume 113, . [bibtex] [url] [doi]
[10] Discovery of a High Affinity Adenosine A1/A3 Receptor Antagonist with a Novel 7-Amino-pyrazolo[3,4-d]pyridazine Scaffold (, , , , , , , , , , and ), In ACS Medicinal Chemistry Letters, volume 0, . [bibtex] [url] [doi]
[9] A Localized Enantioselective Catalytic Site on Short DNA Sequences and Their Amphiphiles (), In JACS Au, volume 2, . [bibtex] [url] [doi]
[8] Modulating the growth of chemically deposited ZnO nanowires and the formation of nitrogen- and hydrogen-related defects using pH adjustment (, , , , , and ), In Nanoscale Adv., volume 4, . [bibtex] [url] [doi]
[7] Ab initio, artificial neural network predictions and experimental synthesis of mischmetal alloying in Sm–Co permanent magnets (, , , , and ), In Nanoscale, The Royal Society of Chemistry, volume 14, . [bibtex] [url] [doi]
[6] Cost effective modification of SmCo5-type alloys (, , , and ), In AIP Advances, volume 12, . [bibtex] [url] [doi]
[5] Quantification of Nanoscale Dose Enhancement in Gold Nanoparticle-Aided External Photon Beam Radiotherapy (, , , , and ), In Cancers, volume 14, . [bibtex] [url] [doi]
[4] p-Type Iodine-Doping of Cu3N and Its Conversion to γ-CuI for the Fabrication of γ-CuI/Cu3N p-n Heterojunctions (, , , and ), In Electronic Materials, volume 3, . [bibtex] [url] [doi]
2021
[3] Machine Learning in Magnetic Materials (, and ), In physica status solidi (b), volume 258, . [bibtex] [url] [doi]
[2] Structural and magnetic properties of SmCo5−XNiX intermetallic compounds (), In Journal of Alloys and Compounds, volume 882, . [bibtex] [url] [doi]
[1] Thermodynamic analysis of oligomeric blends by applying the Kirkwood-Buff theory of solutions (, and ), In Journal of Physics: Conference Series, IOP Publishing, volume 2090, . [bibtex] [url] [doi]