Applications of Biomolecular Structure and Interaction in Biomedical Studies

Dear Colleagues,

Biomolecular structures and interactions play an increasingly important role in the process of structure-based drug design and development. Within this framework, a number of biophysical techniques are commonly utilised to determine the three-dimensional structure of biomacromolecules such as proteins, nucleic acids, and carbohydrates, and to quantify their interactions with small-molecule and peptide drugs at an atomic level. When experimental data are not available, structure prediction of therapeutic target proteins using Alphafold may help improve on the knowledge on and development of new drug candidates. In this Special Issue, we welcome review and research articles that focus on the biomolecular structures and interactions combining both in silico and various experimental approaches such as nuclear magnetic resonance (NMR), X-ray crystallography, cryogenic electron microscopy (Cryo-EM), data-driven docking, surface plasmon resonance (SPR), and isothermal titration calorimetry (ITC).

Dr. Biswaranjan Mohanty
Guest Editor

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• NMR
• X-ray crystallography
• Cryo-EM
• docking
• artificial intelligence
• SPR
• ITC
• drug discovery