Madushanka Manathunga

AmberTools

David A. Case, Hasan Metin Aktulga, Kellon Belfon et al. · Journal of Chemical Information and Modeling · 2023 · 1.5K citations · Full text

Molecular Diversity, Engineering, Newer Features +11

Amber 2021: Reference Manual

David A. Case, Hasan Metin Aktulga, Kellon Belfon et al. · Open Repository and Bibliography (University of Luxembourg) · 2021 · 171 citations

Data Management, Amber 2021, Standardization +1

Engineering the vibrational coherence of vision into a synthetic molecular device

Moussa Gueye, Madushanka Manathunga, Damianos Agathangelou et al. · Nature Communications · 2018 · 61 citations · Full text

Quantum–classical simulations of rhodopsin reveal excited-state population splitting and its effects on quantum efficiency

Xuchun Yang, Madushanka Manathunga, Samer Gozem et al. · Nature Chemistry · 2022 · 59 citations · Full text

Quantum Science, Excited State Property, Localized Excited State +12

Probing the Photodynamics of Rhodopsins with Reduced Retinal Chromophores

Madushanka Manathunga, Xuchun Yang, Hoi Ling Luk et al. · Journal of Chemical Theory and Computation · 2015 · 54 citations · Full text

Reduced Retinal Chromophores, Molecular Biology, Systematic Computational Studies +16