Ricardo A. Mata

According to our database, Ricardo A. Mata authored at least 10 papers between 2010 and 2023.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2023

The Catalytic Mechanism of Acetoacetate Decarboxylase: A Detailed Study of Schiff Base Formation, Protonation States, and Their Impact on Catalysis.

Jon Uranga, Ricardo A. Mata

J. Chem. Inf. Model., May, 2023

Automated handling of complex chemical structures in <i>Z</i>-matrix coordinates - The chemcoord library.

Oskar Weser, Björn Hein-Janke, Ricardo A. Mata

J. Comput. Chem., February, 2023

2021

Theoretical Studies of the Acid-Base Equilibria in a Model Active Site of the Human 20S Proteasome.

Jon Uranga, Lukas Hasecke, Jonny Proppe, Jan Fingerhut, Ricardo A. Mata

J. Chem. Inf. Model., 2021

2017

Visualizing dispersion interactions through the use of local orbital spaces.

Axel Wuttke, Ricardo A. Mata

J. Comput. Chem., 2017

Efficient parallelization of perturbative Monte Carlo QM/MM simulations in heterogeneous platforms.

Sebastião Miranda, Jonas Feldt, Frederico Pratas, Ricardo A. Mata, Nuno Roma, Pedro Tomás

Int. J. High Perform. Comput. Appl., 2017

2014

Free-energy perturbation and quantum mechanical study of SAMPL4 octa-acid host-guest binding energies.

Paulius Mikulskis, Daniela Cioloboc, Milica Andrejic, Sakshi Khare, Joakim Brorsson, Samuel Genheden, Ricardo A. Mata, Pär Söderhjelm, Ulf Ryde

J. Comput. Aided Mol. Des., 2014

2013

Accelerating the Computation of Induced Dipoles for Molecular Mechanics with Dataflow Engines.

Frederico Pratas, Diego Oriato, Oliver Pell, Ricardo A. Mata, Leonel Sousa

Proceedings of the 21st IEEE Annual International Symposium on Field-Programmable Custom Computing Machines, 2013

2012

Computation of Induced Dipoles in Molecular Mechanics Simulations Using Graphics Processors.

Frederico Pratas, Leonel Sousa, Johannes M. Dieterich, Ricardo A. Mata

J. Chem. Inf. Model., 2012

Atomdroid: A Computational Chemistry Tool for Mobile Platforms.

Jonas Feldt, Ricardo A. Mata, Johannes M. Dieterich

J. Chem. Inf. Model., 2012

2010

Iterative induced dipoles computation for molecular mechanics on GPUs.

Frederico Pratas, Ricardo A. Mata, Leonel Sousa

Proceedings of 3rd Workshop on General Purpose Processing on Graphics Processing Units, 2010