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Maite Roca

8PUBLICATIONS

13CO-AUTHORS

Computational chemistryInstruments and techniquesPeriodonticsChemical and thermal processes in energy and combustionStatistical mechanics in chemistry

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Publications (8)

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|Nov 24, 2025

Comparing Force Field Treatments in QM/MM Studies of the SARS-CoV-2 RNA-Dependent RNA Polymerase (RdRp) Mechanism.

Maite Roca, Yazdan Maghsoud, G Andrés Cisneros

|Mar 17, 2023

Molecular Basis of RNA-Driven ATP Hydrolysis in DExH-Box Helicases.

Santiago Movilla, Maite Roca, Vicent Moliner

|Jan 17, 2023

Computational Study of the Inhibition of RgpB Gingipain, a Promising Target for the Treatment of Alzheimer's Disease.

Santiago Movilla, Sergio Martí, Maite Roca

|Sep 02, 2021

Unrevealing the Proteolytic Activity of RgpB Gingipain from Computational Simulations.

Santiago Movilla, Sergio Martí, Maite Roca

|Jun 14, 2021

Selective oxidation of alkyl and aryl glyceryl monoethers catalysed by an engineered and immobilised glycerol dehydrogenase.

Susana Velasco-Lozano, Maite Roca, Alejandro Leal-Duaso

|Aug 20, 2020

Transition-State Vibrational Analysis and Isotope Effects for COMT-Catalyzed Methyl Transfer.

Maite Roca, Ian H Williams

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Frequent Collaborators

6 joint publications

Vicent Moliner

2 joint publications

Ian H Williams

2 joint publications

Sergio Martí

2 joint publications

Santiago Movilla

1 joint publications

J Javier Ruiz-Pernía

1 joint publications

Raquel Castillo

1 joint publications

Mónica Oliva

1 joint publications

Susana Velasco-Lozano

1 joint publications

Elisabet Pires

1 joint publications

Fernando López-Gallego

Frequent Collaborators

6 joint publications

Vicent Moliner

2 joint publications

Ian H Williams

2 joint publications

Sergio Martí

2 joint publications

Santiago Movilla

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