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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 Chemical Theory and Computation|November 21, 2015
Shape of Multireference, Equation-of-Motion Coupled-Cluster, and Density Functional Theory Potential Energy Surfaces at a Conical IntersectionSamer Gozem, Federico Melaccio, Alessio Valentini, 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.Pageof 2