A QM/MM simulation study of transamination reaction at the active site of aspartate aminotransferase: Free energy landscape and proton transfer pathways

Sindrila Dutta Banik, Arindam Bankura, Amalendu Chandra. A QM/MM simulation study of transamination reaction at the active site of aspartate aminotransferase: Free energy landscape and proton transfer pathways. Journal of Computational Chemistry, 41(32):2684-2694, 2020. [doi]

Abstract

Abstract is missing.