Maite Roca

1.6k citations

43 papers · 1.3k indexed · h-index 20

Impact in

Molecular Biology top 10%
- Protein Structure and Dynamics
- Photosynthetic Processes and Mechanisms
- Enzyme Catalysis and Immobilization
- DNA and Nucleic Acid Chemistry
- Biochemical and Molecular Research
- RNA and protein synthesis mechanisms
Biochemistry top 10%

Papers in ⓘ

Molecular Biology 38
- Protein Structure and Dynamics 22
- DNA and Nucleic Acid Chemistry 8
- Biochemical and Molecular Research 6
- Microbial Metabolic Engineering and Bioproduction 5
- RNA modifications and cancer 5
- Epigenetics and DNA Methylation 4
- Enzyme Catalysis and Immobilization 4
Materials Chemistry 16
- Enzyme Structure and Function 16

Co-authors: Iñaki Tuñón (27 shared papers)Vicent Moliner (24 shared papers)Arieh Warshel (7 shared papers)Benjamin Messer (4 shared papers)Juan Bertrán (5 shared papers)Sergio Martı́ (7 shared papers)Juán Andrés (4 shared papers)Spyridon Vicatos (2 shared papers)
Journals: Journal of the American Chemical Society (11 papers)The Journal of Physical Chemistry B (5 papers)Proteins Structure Function and Bioinformatics (3 papers)Physical Chemistry Chemical Physics (3 papers)Biochemistry (3 papers)
Partner nations: Spain United States United Kingdom

In The Last Decade

Maite Roca

42 papers receiving 1.3k citations

Peers

Countries citing papers authored by Maite Roca

Since Specialization

Citations

This map shows the geographic impact of Maite Roca's research. It shows the number of citations coming from papers published by authors working in each country. You can also color the map by specialization and compare the number of citations received by Maite Roca with the expected number of citations based on a country's size and research output (numbers larger than one mean the country cites Maite Roca more than expected).

Fields of papers citing papers by Maite Roca

Since Specialization

Physical SciencesHealth SciencesLife SciencesSocial Sciences

This network shows the impact of papers produced by Maite Roca. Nodes represent research fields, and links connect fields that are likely to share authors. Colored nodes show fields that tend to cite the papers produced by Maite Roca. The network helps show where Maite Roca may publish in the future.

Co-authors

The 25 scholars most cited alongside Maite Roca, linked wherever they have co-authored with each other. Click a name or a connecting line to browse the papers they share.

Border = papers with Maite Roca Line = papers co-authored together Maite Roca links everyone, so they are left out of the graph.

All Works

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20 of 20 papers shown

Showing the 20 most-cited of 43 papers — load more, or switch the sort, to bring in the rest.

#	Work
1	Theoretical insights in enzyme catalysis Chemical Society Reviews ·Sergio Martı́, Maite Roca, Juán Andrés, Vicent Moliner, Estanislao Silla, Iñaki Tuñón, Juan Bertrán	2004	142
2	Unraveling the role of protein dynamics in dihydrofolate reductase catalysis Proceedings of the National Academy of Sciences ·Louis Y. P. Luk, J. Javier Ruiz‐Pernía, William Dawson, Maite Roca, E. Joel Loveridge, David R. Glowacki, Jeremy N. Harvey, Adrian J. Mulholland, Iñaki Tuñón, Vicent Moliner, Rudolf K. Allemann	2013	109
3	On the Relationship between Thermal Stability and Catalytic Power of Enzymes Biochemistry ·Maite Roca, Hanbin Liu, Benjamin Messer, Arieh Warshel	2007	87
4	On the relationship between folding and chemical landscapes in enzyme catalysis Proceedings of the National Academy of Sciences ·Maite Roca, Benjamin Messer, Donald Hilvert, Arieh Warshel	2008	73
5	The Catalytic Mechanism of Carboxylesterases: A Computational Study Biochemistry ·Juan Aranda, Nuno M. F. S. A. Cerqueira, Pedro Alexandrino Fernandes, Maite Roca, Iñaki Tuñón, Maria J. Ramos	2014	65
6	Multiscale simulations of protein landscapes: Using coarse‐grained models as reference potentials to full explicit models Proteins Structure Function and Bioinformatics ·Benjamin Messer, Maite Roca, Zhen T. Chu, Spyridon Vicatos, Alexandra Vardi Kilshtain, Arieh Warshel	2009	61
7	Effective approach for calculations of absolute stability of proteins using focused dielectric constants Proteins Structure Function and Bioinformatics ·Spyridon Vicatos, Maite Roca, Arieh Warshel	2009	61
8	Theoretical Modeling of Enzyme Catalytic Power: Analysis of “Cratic” and Electrostatic Factors in Catechol O -Methyltransferase Journal of the American Chemical Society ·Maite Roca, Sergio Martı́, Juán Andrés, Vicent Moliner, Iñaki Tuñón, Juan Bertrán, Ian H. Williams	2003	58
9	Dynamic Effects on Reaction Rates in a Michael Addition Catalyzed by Chalcone Isomerase. Beyond the Frozen Environment Approach Journal of the American Chemical Society ·J. Javier Ruiz‐Pernía, Iñaki Tuñón, Vicent Moliner, James T. Hynes, Maite Roca	2008	57
10	Promiscuity in Alkaline Phosphatase Superfamily. Unraveling Evolution through Molecular Simulations Journal of the American Chemical Society ·Violeta López‐Canut, Maite Roca, Juan Bertrán, Vicent Moliner, Iñaki Tuñón	2011	56
11	Theoretical Study of Phosphodiester Hydrolysis in Nucleotide Pyrophosphatase/Phosphodiesterase. Environmental Effects on the Reaction Mechanism Journal of the American Chemical Society ·Violeta López‐Canut, Maite Roca, Juan Bertrán, Vicent Moliner, Iñaki Tuñón	2010	51
12	Coupling between Protein and Reaction Dynamics in Enzymatic Processes: Application of Grote−Hynes Theory to Catechol O-Methyltransferase Journal of the American Chemical Society ·Maite Roca, Vicent Moliner, Iñaki Tuñón, James T. Hynes	2006	51
13	Toward Accurate Screening in Computer-Aided Enzyme Design Biochemistry ·Maite Roca, Alexandra Vardi‐Kilshtain, Arieh Warshel	2009	50
14	Electrostatic contributions to protein stability and folding energy FEBS Letters ·Maite Roca, Benjamin Messer, Arieh Warshel	2007	47
15	QM/MM Determination of Kinetic Isotope Effects for COMT-Catalyzed Methyl Transfer Does Not Support Compression Hypothesis Journal of the American Chemical Society ·Giuseppe Ruggiero, Ian H. Williams, Maite Roca, Vicent Moliner, Iñaki Tuñón	2004	42
16	On the Nature of the Transition State in Catechol O-Methyltransferase. A Complementary Study Based on Molecular Dynamics and Potential Energy Surface Explorations Journal of the American Chemical Society ·Maite Roca, Juán Andrés, Vicent Moliner, Iñaki Tuñón, Juan Bertrán	2005	39
17	Activation Free Energy of Catechol O-Methyltransferase. Corrections to the Potential of Mean Force The Journal of Physical Chemistry A ·Maite Roca, Vicent Moliner, J. Javier Ruiz‐Pernía, Estanislao Silla, Iñaki Tuñón	2005	29
18	Unraveling the Reaction Mechanism of Enzymatic C5-Cytosine Methylation of DNA. A Combined Molecular Dynamics and QM/MM Study of Wild Type and Gln119 Variant ACS Catalysis ·Juan Aranda, Kirill Zinovjev, Katarzyna Świderek, Maite Roca, Iñaki Tuñón	2016	28
19	Do Dynamic Effects Play a Significant Role in Enzymatic Catalysis? A Theoretical Analysis of Formate Dehydrogenase Chemistry - A European Journal ·Maite Roca, Mónica Oliva, Raquel Castillo, Vicent Moliner, Iñaki Tuñón	2010	24
20	Dynamics and Reactivity in Thermus aquaticus N6-Adenine Methyltransferase Journal of the American Chemical Society ·Juan Aranda, Kirill Zinovjev, Maite Roca, Iñaki Tuñón	2014	21

About Maite Roca

Maite Roca is a scholar working on Molecular Biology, Materials Chemistry, Atomic and Molecular Physics, and Optics, Organic Chemistry and Cell Biology, having authored 43 papers that have together received 1.3k indexed citations. Recurring topics across this work include Protein Structure and Dynamics (22 papers), Enzyme Structure and Function (16 papers), DNA and Nucleic Acid Chemistry (8 papers), Biochemical and Molecular Research (6 papers), Microbial Metabolic Engineering and Bioproduction (5 papers), RNA modifications and cancer (5 papers), Epigenetics and DNA Methylation (4 papers) and Enzyme Catalysis and Immobilization (4 papers). The work is most often cited by research in Molecular Biology (1.0k citations), Biochemistry (73 citations), Physical and Theoretical Chemistry (83 citations), Materials Chemistry (393 citations) and Atomic and Molecular Physics, and Optics (186 citations). Maite Roca has collaborated with scholars based in Spain, United States and United Kingdom. Frequent co-authors include Iñaki Tuñón, Vicent Moliner, Arieh Warshel, Benjamin Messer, Juan Bertrán, Sergio Martı́, Juán Andrés, Spyridon Vicatos, J. Javier Ruiz‐Pernía and Juan Aranda. Their work appears in journals such as Journal of the American Chemical Society, The Journal of Physical Chemistry B, Proteins Structure Function and Bioinformatics, Physical Chemistry Chemical Physics and Biochemistry.

Rankless uses publication and citation data sourced from OpenAlex, an open and comprehensive bibliographic database. While OpenAlex provides broad and valuable coverage of the global research landscape, it—like all bibliographic datasets—has inherent limitations. These include incomplete records, variations in author disambiguation, differences in journal indexing, and delays in data updates. As a result, some metrics and network relationships displayed in Rankless may not fully capture the entirety of a scholar's output or impact.

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