Benchmarking quantum mechanical methods for calculating reaction energies of reactions catalyzed by enzymes

by Jitnapa Sirirak, Narin Lawan, Marc W. Van der Kamp, Jeremy N. Harvey, Adrian J. Mulholland
Published 2020-05-01

Improved scFv Anti-HIV-1 p17 Binding Affinity Guided from the Theoretical Calculation of Pairwise Decomposition Energies and Computational Alanine Scanning

by Panthip Tue-ngeun, Kanchanok Kodchakorn, Piyarat Nimmanpipug, Narin Lawan, Sawitree Nangola, Chatchai Tayapiwatana, Noorsaadah Abdul Rahman, Sharifuddin Md. Zain, Vannajan Sanghiran Lee
Published 2013-01-01