Ricardo A. Mata

Publication Activity (10 Years)

Years Active: 2010-2023
Publications (10 Years): 5

Top Topics

Matrix Representation

Monte Carlo Methods

Heterogeneous Platforms

Top Venues

J. Comput. Chem.

J. Chem. Inf. Model.

J. Comput. Aided Mol. Des.

Publications

Oskar Weser, Björn Hein-Janke, Ricardo A. Mata
-matrix coordinates - The chemcoord library. J. Comput. Chem. 44 (5) (2023)
Jon Uranga, Ricardo A. Mata
The Catalytic Mechanism of Acetoacetate Decarboxylase: A Detailed Study of Schiff Base Formation, Protonation States, and Their Impact on Catalysis. J. Chem. Inf. Model. 63 (10) (2023)
Jon Uranga, Lukas Hasecke, Jonny Proppe, Jan Fingerhut, Ricardo A. Mata
Theoretical Studies of the Acid-Base Equilibria in a Model Active Site of the Human 20S Proteasome. J. Chem. Inf. Model. 61 (4) (2021)
Sebastião Miranda, Jonas Feldt, Frederico Pratas, Ricardo A. Mata, Nuno Roma, Pedro Tomás
Efficient parallelization of perturbative Monte Carlo QM/MM simulations in heterogeneous platforms. Int. J. High Perform. Comput. Appl. 31 (6) (2017)
Axel Wuttke, Ricardo A. Mata
Visualizing dispersion interactions through the use of local orbital spaces. J. Comput. Chem. 38 (1) (2017)
Paulius Mikulskis, Daniela Cioloboc, Milica Andrejic, Sakshi Khare, Joakim Brorsson, Samuel Genheden, Ricardo A. Mata, Pär Söderhjelm, Ulf Ryde
Free-energy perturbation and quantum mechanical study of SAMPL4 octa-acid host-guest binding energies. J. Comput. Aided Mol. Des. 28 (4) (2014)
Frederico Pratas, Diego Oriato, Oliver Pell, Ricardo A. Mata, Leonel Sousa
Accelerating the Computation of Induced Dipoles for Molecular Mechanics with Dataflow Engines. FCCM (2013)
Frederico Pratas, Leonel Sousa, Johannes M. Dieterich, Ricardo A. Mata
Computation of Induced Dipoles in Molecular Mechanics Simulations Using Graphics Processors. J. Chem. Inf. Model. 52 (5) (2012)
Jonas Feldt, Ricardo A. Mata, Johannes M. Dieterich
Atomdroid: A Computational Chemistry Tool for Mobile Platforms. J. Chem. Inf. Model. 52 (4) (2012)
Frederico Pratas, Ricardo A. Mata, Leonel Sousa
Iterative induced dipoles computation for molecular mechanics on GPUs. GPGPU (2010)