Chemical Theory and Computation; Theories of Chemical Reactions; Computer Simulations of Biological Functions; Multiscale Models for Complex Chemical Systems

POSTGRADUATE SUPERVISION & MENTORING

M.Sc. STUDENTS SUPERVISED
Yanara Bernal, 2018 - 2020

Ph.D. STUDENTS SUPERVISED
Andrés Felipe Flor, 2020 - Present

POSTDOCS SUPERVISED
Daniela E. Ortega, 2018 - 2021
Rocío Durán, 2020 - Present
Nery Villegas-Escobar, 2020 - Present
Sebastián Gallardo-Fuentes, 2020 - Present
Karina Muñoz Becerra, 2020 - Present

COLLABORATIONS

Nobel Laureate Dr. Rudy Marcus, California Institute of Technology
Nobel Laureate Dr. Arieh Warshel, University of Southern California
Dr. Kendall N. Houk, University of California, Los Angeles - UCLA
Dr. Peng Liu, University of Pittsburgh
Dr. Iñaki Tuñón, University of Valencia

PROFESSIONAL AFFILIATIONS

Royal Society of Chemistry (RSC)
Spanish Royal Society of Chemistry (RSEQ)
American Chemical Society (ACS)
American Physical Society (APS)
The Biophysical Society (BPS)
The Electrochemical Society (ECS)
Inter-American Photochemical Society (I-APS)
American Society for Photobiology (ASP)
American Association for the Advancement of Science (AAAS)
American Society for Biochemistry and Molecular Biology (ASBMB)
International Society for Computational Biology (ISCB)
International Society of Quantum Biology and Pharmacology (ISQBP)
The Protein Society (TPS)
Society for Biochemistry and Molecular Biology of Chile (SBBMCh)
Chilean Chemical Society (SChQ)
Society of Biology of Chile (SBCH)

PROFESSIONAL SERVICE

Grant Review Panelist for the National Science Foundation (NSF, USA), 2021
Grant Review Panelist for the National Science Foundation (NSF, USA), 2016
FONDECYT Grant Reviewer (FONDECYT, Regular Competition, Chile), 2015
FONDEQUIP Grant Review Panelist (CONICYT, Chile), 2019 - 2020
Ad hoc Reviewer for RSC Advances (4 times)
Ad hoc Reviewer for Royal Society Open Science (2 times)
Ad hoc Reviewer for Green Chemistry (4 times)
Ad hoc Reviewer for ACS Catalysis (1 time)
Ad hoc Reviewer for Organic Letters (1 time)
Ad hoc Reviewer for Organic & Biomolecular Chemistry (1 time)
Ad hoc Reviewer for Chemical Communications (2 times)
Ad hoc Reviewer for New Journal of Chemistry (4 times)
Ad hoc Reviewer for Journal of Physical Chemistry B (1 time)
Ad hoc Reviewer for Physical Chemistry Chemical Physics (PCCP) (32 times)
Ad hoc Reviewer for Journal of Molecular Modeling (18 times)
Ad hoc Reviewer for Journal of the Chilean Chemical Society (1 time)

Verified Publication Reviews in Publons: http://publons.com/a/1573074/

EVENT PLANNING

2018, Symposium Chairman
1st Bernardo O’Higgins Lecture: In Honor of Nobel Laureate, Professor Rudy Marcus
Venue: Bernardo O’Higgins University, Santiago, Chile
Speakers:
Nobel Laureate Rudolph A. Marcus (Caltech), Kenneth H. Marcus (University of La Verne), José H. Zagal (USACH, Chile), Alejandro Toro-Labbé (PUC, Chile), María Belén Camarada (U. Mayor, Chile), Diego Cortés-Arriagada (UTEM, Chile), Bárbara Herrera (PUC, Chile), Andrés Rivas-Pardo (USACH, Chile), Alvaro Muñoz-Castro (U. Autónoma, Chile), Ricardo A. Matute (UBO, Chile; Caltech)
# Attendees: 100+

CONFERENCE TALKS

1) Ricardo A. Matute, “Non-RRKM Dynamics, Excited-State Aromaticity, and Regioselectivity on the Mechanism of the Triplet Di-pi-Methane Rearrangement”,
XIV Latin American Meeting of Photochemistry and Photobiology (ELAFOT), 2019, Viña del Mar, Chile
[Contributed Talk]

2) Ricardo A. Matute, “Non-RRKM Dynamics, Excited-State Aromaticity, and Diabatic Model of Intermediate Stabilization on the Mechanism of the Zimmerman Di-pi-Methane Photorearrangement”, 3rd International Conference in Bioinformatics, Simulations and Modeling (iCBSM), 2019, Talca, Chile
[Invited Speaker]

3) Ricardo A. Matute, “Theory and molecular dynamics on F1-ATPase accounting for early events in ADP release”,
XLII Annual Meeting of the Society for Biochemistry and Molecular Biology of Chile, 2019, Iquique, Chile
[Incorporation Talk]

4) Ricardo A. Matute, Daniela E. Ortega, Rodrigo Ormazábal-Toledo, Renato Contreras, “Insights into the competition between E1cb and E1cb/E2 borderline mechanisms of the 1,2-elimination of Beta-phenylmercaptoethyl phenolate”, XLV International Congress of Theoretical Chemists of Latin Expression (CHITEL/QUITEL), 2019, Montreal, Québec, Canada
[Contributed Talk]

5) Ricardo A. Matute, “Non-Statistical Dynamics, Aromaticity, and Substituent Effects on the Mechanism of the Triplet Zimmerman Rearrrangement”,
XLIV International Congress of Theoretical Chemists of Latin Expression (QUITEL), 2018, Santiago, Chile
[Invited Speaker]

6) Ricardo A. Matute, “Marcus Theory Inspired Approaches on the study of DNA Polymerases and Ion Channels”,
1st Bernardo O’Higgins Lecture: In Honor of Nobel Laureate, Professor Rudy Marcus, 2018, Bernardo O’Higgins University, Santiago, Chile
[Organizer & Speaker]

7) Ricardo A. Matute, “Design of Artificial Enzymes”, Symposium on Nanotechnology, 2018, Universidad Mayor, Santiago, Chile
[Invited Speaker]

8) Ricardo A. Matute, “Non-statistical dynamics and aromaticity as the reaction driving force on the mechanism of the Zimmerman Di-pi-methane rearrangement”,
256th American Chemical Society National Meeting & Exposition, 2018, Boston, Massachusetts, USA
[Contributed Talk]

9) Ricardo A. Matute, “Non-statistical dynamics, aromaticity, and substituent effects on the mechanism of the triplet di-pi-methane rearrangement”,
27th PhotoIUPAC, International Symposium on Photochemistry, 2018, Dublin, Ireland
[Contributed Talk]

10) Ricardo A. Matute, “Theory of Single-Molecule Biophysics on F1-ATPase”, 3rd Protein Biophysics at the End of the World, 2018, Hall of Honor, Pontifical Catholic University of Chile, Santiago, Chile
[Invited Speaker]

11) Ricardo A. Matute, “Revisiting the Mechanism of DNA Polymerases with an Empirical Valence Bond Model”,
Modeling Interactions in Biomolecules VIII (MIB), 2017, Pilsen, Czech Republic
[Invited Speaker]

12) Ricardo A. Matute and Arieh Warshel, “Empirical valence bond study of the effect of mutations of active site acidic groups in Polymerase Beta”,
42 nd International Congress of Theoretical Chemists of Latin Expression (QUITEL), 2016, Montevideo, Uruguay
[Contributed Talk]

13) Ricardo A. Matute, “Design of Enzyme Catalysts for Photochemical Rearrangements”,
II Workshop: Perspectives on Catalysis & Energy, 2016, Pontifical Catholic University of Chile, Santiago, Chile
[Invited Speaker]

14) Ricardo A. Matute and Arieh Warshel, “A computational study on the catalytic role of the magnesium ions in the active site of the DNA Polymerase Beta”,
251st American Chemical Society National Meeting & Exposition, 2016, San Diego, California, USA
[Contributed Talk]

15) Ricardo A. Matute and Arieh Warshel, “Origin of the Fidelity of the DNA Polymerase Beta: An EVB/FEP/US Approach”,
10th Congress of the World Association of Theoretical and Computational Chemists (WATOC), 2014, Casa Piedra, Santiago, Chile
[Contributed Talk]

16) Ricardo A. Matute and Kendall N. Houk, “Zimmerman di-pi-methane rearrangement of dibenzobarrelene: Bactrian or Dromedary?”,
245th American Chemical Society National Meeting & Exposition, 2013, New Orleans, Louisiana, USA
[Contributed Talk]

17) Ricardo A. Matute, Renato Contreras, Guillermo Perez-Hernandez, Leticia Gonzalez, “Time Dependent DFT on Phytochrome Chromophores: A Way to Find the Right Conformer”, XXIV International Conference on Photochemistry (ICP), 2009, Toledo, Spain
[Contributed Talk]

SEMINAR TALKS

1) Ricardo A. Matute, “Non-RRKM dynamics, excited state aromaticity, and substituent effects on the mechanism of the triplet Zimmerman rearrangement”, 2019, Department of Chemistry, University of Pittsburgh, PA, USA

2) Ricardo A. Matute, “Computational studies on Photorearrangements, DNA polymerase, and F1-ATPase”, 2019, Department of Physical and Analytical Chemistry, Universitat Jaume I, Castellón, Spain

3) Ricardo A. Matute, “Computational studies on Photorearrangements, DNA polymerase, and F1-ATPase”, 2019, Department of Physical Chemistry, Faculty of Chemistry, University of Valencia, Spain

4) Ricardo A. Matute, “Chemical Theory and Multiscale Modeling on Photorearrangements, DNA Polymerases, and F1-ATPase”, 2018, Institute of Chemistry, Pontifical Catholic University of Valparaíso, Valparaíso, Chile

5) Ricardo A. Matute, “Chemical Theory and Multiscale Modeling on Photorearrangements, DNA Polymerases, and F1-ATPase”, 2018, Laboratory of Molecular Structure and Dynamics, Institute of Chemistry, Eötvös Loránd University, Budapest, Hungary

6) Ricardo A. Matute, “Chemical Theory and Multiscale Modeling on Photorearrangements, DNA Polymerases, and F1-ATPase”, 2018, Faculty of Mathematics and Physics, Charles University, Prague, Czech Republic

7) Ricardo A. Matute, “Chemical Theory and Multiscale Modeling on Photorearrangements, DNA Polymerases, and F1-ATPase”, 2018, Center for Applied Nanotechnology, Universidad Mayor, Santiago, Chile

8) Ricardo A. Matute, “Non-statistical dynamics and origin of regioselectivity in the Triplet Di-pi-Methane Rearrangement”, 2017, Chimie ParisTech (École nationale supérieure de chimie de Paris (ENSCP)), Paris, France

9) Ricardo A. Matute, “Computational chemistry in the study of enzymatic catalysis and enzyme design”, 2014, Center for Bioinformatics and Molecular Simulations (CBSM), University of Talca, Talca, Chile

10) Ricardo A. Matute, “Computational chemistry in the study of enzymatic catalysis and enzyme design”, 2014, Faculty of Chemical and Pharmaceutical Sciences, University of Chile, Santiago, Chile

POSTER PRESENTATIONS

1) Ricardo A. Matute, Sándor Volkán-Kacsó, and Rudolph A. Marcus, "Exploring the rotation of the gamma shaft of F1-ATPase in single-molecule experiments", Biophysical Society Thematic Meeting: Revisiting the Central Dogma of Molecular Biology at the Single-Molecule Level, 2019, Lima, Peru
[Selected for Flash Talk]

2) Ricardo A. Matute, Sándor Volkán-Kacsó, and Rudolph A. Marcus, "Exploring the rotation of the gamma shaft of F1-ATPase in single-molecule experiments", Gordon Research Conference on Bioenergetics (GRC Bioenergetics), 2019, Andover, NH, USA
[Selected for Flash Talk]

3) Ricardo A. Matute, “Reaction Electronic Flux Perspective on the Excited State Aromaticity of the Zimmerman Rearrangement”, Aromaticity 2018, 2018, Riviera Maya, México

4) Ricardo A. Matute, “Theory of single-molecule biophysics on F1-ATPase”, 90th Annual Meeting of the Society of Biology of Chile, 2016, Puerto Varas, Chile

5) Ricardo A. Matute, “Design of Enzyme Catalysts for Photochemical Rearrangements”, XII International Seminar of the COPEC-UC Foundation, Bioengineering: Science & Technology for Life, 2016, Pontifical Catholic University of Chile, Santiago, Chile

6) Ricardo A. Matute and Arieh Warshel, “Computational study on the catalytic effect of the magnesium ions in the mechanism of DNA polymerases”, 60 th Annual Meeting of the Biophysical Society, 2016, Los Angeles, California, USA

7) Ricardo A. Matute, Hanwool Yoon, and Arieh Warshel, “Mechanistic insights into proton transfers and pH dependence of enzyme catalysis in DNA polymerases”, 1 st Southern California Theoretical Chemistry Symposium (SoCal TheoChem), 2016, University of California San Diego (UCSD), La Jolla, CA, USA

8) Ricardo A. Matute and Arieh Warshel, “Electrostatic effects of the magnesium ions on the catalysis of critical mutants of the DNA Polymerase Beta”, International Chemical Congress of Pacific Basin Societies (PACIFICHEM), 2015, Honolulu, Hawaii, USA

9) Ricardo A. Matute, Gonzalo Jimenez-Oses, Peng Liu, and K. N. Houk, “Nonstatistical Dynamics of the Triplet Di-pi-Methane Rearrangement”, 10 th Congress of the World Association of Theoretical and Computational Chemists (WATOC), 2014, Casa Piedra, Santiago, Chile

10) Ricardo A. Matute, Gonzalo Jimenez-Oses, Peng Liu, and K. N. Houk, “Exploring Dynamics on the Triplet Surface”, 43 rd National Organic Chemistry Symposium, 2013, Seattle, WA, USA

11) Ricardo Matute and Kendall N. Houk, “Quantum Mechanical Design of Enzyme Active Sites for Photochemical Rearrangements”, International Congress of Quatum Chemistry (ICQC) Satellite Symposium - QM and MD of Organic and Biological Reactivity, 2012, UCLA, Los Angeles, CA, USA

12) Ricardo A. Matute, Gonzalo Jimenez-Oses, Jorge Soto-Delgado, Leticia Gonzalez, Renato Contreras, Kendall N. Houk, “Tautomerism of biliverdin in bacteriophytochrome”, 243 rd American Chemical Society National Meeting & Exposition, 2012, San Diego, CA, USA

13) Ricardo A. Matute, Leticia Gonzalez, Renato Contreras, “Computational Study of the Chromophore Photoconversion in Phytochrome”, ENCUENTROS 2011 – Connecting Chilean Minds Worldwide, 2011, University of California Berkeley, CA, USA

14) Ricardo A. Matute, Renato Contreras, Guillermo Perez-Hernandez, Leticia Gonzalez, “Time Dependent DFT on Phytochrome Chromophores: A Way to Find the Right Conformer”, 9th International Conference on Tetrapyrrole Photoreceptors on Photosynthetic Organisms (ICTPPO), 2009, Monterey, CA, USA