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Journal of Chemical Theory and Computation
|
December 8, 2015
Probing the Photodynamics of Rhodopsins with Reduced Retinal Chromophores
Madushanka Manathunga, Xuchun Yang, Hoi Ling Luk, et al.
Nature Communications
|
January 24, 2018
Engineering the vibrational coherence of vision into a synthetic molecular device
Moussa Gueye, Madushanka Manathunga, Damianos Agathangelou, et al.
The Journal of Physical Chemistry. B
|
March 6, 2025
Design, Synthesis, and Characterization of pH-Resettable Photoswitches Mimicking the GFP Fluorophore Structure
Nicola Ferrara, Germano Giuliani, Marios Maimaris, et al.
The Journal of Physical Chemistry Letters
|
May 7, 2020
Computational and Spectroscopic Characterization of the Photocycle of an Artificial Rhodopsin
Madushanka Manathunga, Adam J Jenkins, Yoelvis Orozco-Gonzalez, et al.
Journal of Chemical Theory and Computation
|
November 3, 2020
ReaxFF/AMBER-A Framework for Hybrid Reactive/Nonreactive Force Field Molecular Dynamics Simulations
Ali Rahnamoun, Mehmet Cagri Kaymak, Madushanka Manathunga, et al.
Journal of the American Chemical Society
|
June 21, 2016
Design, Synthesis, and Dynamics of a Green Fluorescent Protein Fluorophore Mimic with an Ultrafast Switching Function
Marco Paolino, Moussa Gueye, Elisa Pieri, et al.
Journal of Chemical Theory and Computation
|
June 1, 2021
Harnessing the Power of Multi-GPU Acceleration into the Quantum Interaction Computational Kernel Program
Madushanka Manathunga, Chi Jin, Vinícius Wilian D Cruzeiro, et al.
Journal of Chemical Theory and Computation
|
August 11, 2021
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
Dmitrii M Nikolaev, Madushanka Manathunga, Yoelvis Orozco-Gonzalez, et al.
Journal of Chemical Theory and Computation
|
November 8, 2017
An Average Solvent Electrostatic Configuration Protocol for QM/MM Free Energy Optimization: Implementation and Application to Rhodopsin Systems
Yoelvis Orozco-Gonzalez, Madushanka Manathunga, María Del Carmen Marín, et al.
The Journal of Physical Chemistry Letters
|
April 15, 2021
On the Transition from a Biomimetic Molecular Switch to a Rotary Molecular Motor
Marco Paolino, Tommaso Giovannini, Madushanka Manathunga, et al.
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Search research articles
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Showing results (11-20 of 23) with videos related to
Sort By:
Page
of 3
Journal of Chemical Theory and Computation
|
December 8, 2015
Probing the Photodynamics of Rhodopsins with Reduced Retinal Chromophores
Madushanka Manathunga, Xuchun Yang, Hoi Ling Luk, et al.
Nature Communications
|
January 24, 2018
Engineering the vibrational coherence of vision into a synthetic molecular device
Moussa Gueye, Madushanka Manathunga, Damianos Agathangelou, et al.
The Journal of Physical Chemistry. B
|
March 6, 2025
Design, Synthesis, and Characterization of pH-Resettable Photoswitches Mimicking the GFP Fluorophore Structure
Nicola Ferrara, Germano Giuliani, Marios Maimaris, et al.
The Journal of Physical Chemistry Letters
|
May 7, 2020
Computational and Spectroscopic Characterization of the Photocycle of an Artificial Rhodopsin
Madushanka Manathunga, Adam J Jenkins, Yoelvis Orozco-Gonzalez, et al.
Journal of Chemical Theory and Computation
|
November 3, 2020
ReaxFF/AMBER-A Framework for Hybrid Reactive/Nonreactive Force Field Molecular Dynamics Simulations
Ali Rahnamoun, Mehmet Cagri Kaymak, Madushanka Manathunga, et al.
Journal of the American Chemical Society
|
June 21, 2016
Design, Synthesis, and Dynamics of a Green Fluorescent Protein Fluorophore Mimic with an Ultrafast Switching Function
Marco Paolino, Moussa Gueye, Elisa Pieri, et al.
Journal of Chemical Theory and Computation
|
June 1, 2021
Harnessing the Power of Multi-GPU Acceleration into the Quantum Interaction Computational Kernel Program
Madushanka Manathunga, Chi Jin, Vinícius Wilian D Cruzeiro, et al.
Journal of Chemical Theory and Computation
|
August 11, 2021
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
Dmitrii M Nikolaev, Madushanka Manathunga, Yoelvis Orozco-Gonzalez, et al.
Journal of Chemical Theory and Computation
|
November 8, 2017
An Average Solvent Electrostatic Configuration Protocol for QM/MM Free Energy Optimization: Implementation and Application to Rhodopsin Systems
Yoelvis Orozco-Gonzalez, Madushanka Manathunga, María Del Carmen Marín, et al.
The Journal of Physical Chemistry Letters
|
April 15, 2021
On the Transition from a Biomimetic Molecular Switch to a Rotary Molecular Motor
Marco Paolino, Tommaso Giovannini, Madushanka Manathunga, et al.
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