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The Journal of Chemical Physics|September 15, 2025
An automated QM/MM average protein electrostatic configuration approach for flavoproteins: APEC-F 2.0Sarah Elhajj, Jacopo D'Ascenzi, Stephen O Ajagbe, et al.The Journal of Chemical Physics|December 31, 2020
A new interpretation of the absorption and the dual fluorescence of Prodan in solutionCíntia C Vequi-Suplicy, Yoelvis Orozco-Gonzalez, M Teresa Lamy, et al.The Journal of Physical Chemistry Letters|May 7, 2020
Computational and Spectroscopic Characterization of the Photocycle of an Artificial RhodopsinMadushanka Manathunga, Adam J Jenkins, Yoelvis Orozco-Gonzalez, 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 SystemsDmitrii 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 SystemsYoelvis Orozco-Gonzalez, Madushanka Manathunga, María Del Carmen Marín, et al.Journal of the American Chemical Society|December 12, 2018
Fluorescence Enhancement of a Microbial Rhodopsin via Electronic ReprogrammingMaría Del Carmen Marín, Damianos Agathangelou, Yoelvis Orozco-Gonzalez, et al.Journal of Chemical Theory and Computation|October 26, 2016
Toward Automatic Rhodopsin Modeling as a Tool for High-Throughput Computational PhotobiologyFederico Melaccio, María Del Carmen Marín, Alessio Valentini, et al.Biochemistry|February 25, 2021
A Single-Point Mutation in d-Arginine Dehydrogenase Unlocks a Transient Conformational State Resulting in Altered Cofactor ReactivityArchana Iyer, Renata A G Reis, Swathi Gannavaram, et al.Pageof 2