2 papers
physics.chem-ph2021
Time-Dependent Atomistic Simulations of the CP29 Light-Harvesting Complex
Sayan Maity, Pooja Sarngadharan, Vangelis Daskalakis +1
Light harvesting as the first step in photosynthesis is of prime importance for life on earth. For a theoretical description of photochemical processes during light harvesting, spe…
q-bio.BM2020
The natural polyphenol fortunellin and its structural analogs are inhibitors of the SARS-CoV-2 main proteinase dimerization, as revealed by molecular simulation studies
Athanasios A. Panagiotopoulos, Danai-Maria Kotzampasi, George Sourvinos +4
3CL-Pro (or M-Pro) is the SARS-CoV-2 main protease, acting as a homodimer, is responsible for the cleavage of the large polyprotein 1ab transcript in proteins acting on viral growt…