Leila Karami
1) Department of Cell and Molecular Biology, Faculty of Biological Sciences, Kharazmi University, Tehran, Iran 2) Institute of Biochemistry and Biophysics, Universityof Tehran, Tehran, Iran
[ 1 ] - Molecular Dynamics Simulation and Free Energy Studies on the Interaction of Salicylic Acid with Human Serum Albumin (HSA)
Human serum albumin (HSA) is the most abundant protein in the blood plasma. Molecular dynamics simulations of subdomain IIA of HSA and its complex with salicylic acid (SAL) were performed to investigate structural changes induced by the ligand binding. To estimate the binding affinity of SAL molecule to subdomains IB and IIA in HSA protein, binding free energies were calculated using the Molecu...
Co-Authors