List of works by Madushanka Manathunga

An Average Solvent Electrostatic Configuration Protocol for QM/MM Free Energy Optimization: Implementation and Application to Rhodopsin Systems

scientific article published on 7 November 2017

Computational and Spectroscopic Characterization of the Photocycle of an Artificial Rhodopsin

scientific article published on 06 May 2020

Design, Synthesis, and Dynamics of a Green Fluorescent Protein Fluorophore Mimic with an Ultrafast Switching Function.

scientific article published on 20 June 2016

Electronic State Mixing Controls the Photoreactivity of a Rhodopsin with all- trans Chromophore Analogues

scientific article published on 23 October 2018

Engineering the vibrational coherence of vision into a synthetic molecular device.

scientific article published on 22 January 2018

Free Energy Computation for an Isomerizing Chromophore in a Molecular Cavity via the Average Solvent Electrostatic Configuration Model: Applications in Rhodopsin and Rhodopsin-Mimicking Systems

scientific article published on 11 August 2021

Harnessing the Power of Multi-GPU Acceleration into the Quantum Interaction Computational Kernel Program

scientific article published on 01 June 2021

Impact of Electronic State Mixing on the Photoisomerization Time Scale of the Retinal Chromophore.

scientific article published on 5 October 2017

Open-Source Multi-GPU-Accelerated QM/MM Simulations with AMBER and QUICK

scientific article published in 2021

Probing the Photodynamics of Rhodopsins with Reduced Retinal Chromophores

scientific article published on 7 December 2015

ReaxFF/AMBER-A Framework for Hybrid Reactive/Nonreactive Force Field Molecular Dynamics Simulations

scientific article published on 03 November 2020

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