Professora Titular d’Universitat de l’àrea de Química Física del Departament de Química Física i Analítica de la Universitat Jaume I. Pertany al grup d’investigació de Bioquímica Computacional de la Universitat Jaume I. El seu objectiu principal se centra a intentar descriure computacionalment el fenomen de la catàlisi en els sistemes biològics, centrats principalment en les reaccions catalitzades per enzims utilitzant les ferramentes que ens proporciona la química computacional.

Impartix docència en el grau de Químiques i en el Màster Universitari en Química Aplicada i Farmacològica. Les matèries impartides corresponen, principalment, als àmbits científics de la Química Física i de la Bioquímica, centrant-se sobretot en el fonaments de la bioquímica, la cinètica, els fenòmens de transport i la termodinàmica.

 Participa en els programes de Pràctica a la UJI!, Colònies Científiques i Olimpíades Químiques organitzades per la Universitat Jaume I amb l’objectiu de millorar i potencial la relació entre la universitat i els estudiants de secundària. A més és especialista en la matèria de Química de la prova d’accés de batxillerat LOE des del curs 2011/12.

Publicacions periòdiques amb comitè de selecció

• Temperature dependence of dynamic, tunnelling and kinetic isotope effects in formate dehydrogenase
María Teresa Roca Moliner, José Javier Ruiz Pernia, Raquel Castillo Solsona, Mónica Oliva Domínguez, Vicente Moliner Ibáñez. PHYSICAL CHEMISTRY CHEMICAL PHYSICS. Num. 40. Vol. 20. pp. 25722-25737. 2018. Científic.


• Reactivity and Selectivity of Iminium Organocatalysis Improved by a Protein Host
Alexander R. Nödling, Katarzyna Patrycja Swiderek, Raquel Castillo Solsona, Jonathan W. Hall, Antonio Angelastro, Louis C. Morrill, Yi Jin, Yu-Hsuan Tsai, Vicente Moliner Ibáñez, Louis Y.P. Luk. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION. Num. 38. Vol. 57. pp. 12478-12482. 2018. Científic.


• Computational Study of the Phosphoryl Donor Activity of Dihydroxyacetone Kinase from ATP to Inorganic Polyphosphate
Isabel Bordes Pastor, Eduardo Garcia Junceda, Isabel Sánchez Moreno, Raquel Castillo Solsona, Vicente Moliner Ibáñez. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY . Num. 9. Vol. 118. pp. 1-15. 2018. Científic.


• Theoretical Study of the Phosphoryl Transfer Reaction from ATP to Dha Catalyzed by DhaK from Escherichia coli
Isabel Bordes Pastor, Raquel Castillo Solsona, Vicente Moliner Ibáñez. JOURNAL OF PHYSICAL CHEMISTRY B . Num. 38. Vol. 121. pp. 8878-8892. 2017. Científic.


• Tuning the Phosphoryl Donor Specificity of Dihydroxyacetone Kinase from ATP to Inorganic Polyphosphate. An Insight from Computational Studies
I. Sánchez Moreno, Isabel Bordes Pastor, Raquel Castillo Solsona, José Javier Ruiz Pernia, Vicente Moliner Ibáñez, E. García Junceda. INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES. Num. 11. Vol. 16 . pp. 27835-27849. 2015. Científic.


• A Computational Study of the Phosphoryl Transfer Reaction between ATP and Dha in Aqueous Solution
Isabel Bordes Pastor, José Javier Ruiz Pernia, Raquel Castillo Solsona, Vicente Moliner Ibáñez. ORGANIC & BIOMOLECULAR CHEMISTRY . Num. 40. Vol. 13 . pp. 10179-10190. 2015. Científic.


• QM/MM modeling of the hydroxylation of the androstenedione substrate catalyzed by cytochrome P450 aromatase (CYP19A1)
Ignacio Viciano Gonzalo, Raquel Castillo Solsona, Sergio Martí Forés. JOURNAL OF COMPUTATIONAL CHEMISTRY . Num. 23. Vol. 36 . pp. 1736-1747. 2015. Científic.


• Hydrolysis of phosphotriesters: A theoretical analysis of the enzymatic and solution mechanisms
Violeta López, José Javier Ruiz Pernia, Raquel Castillo Solsona, Vicente Moliner Ibáñez, Iñaki Tuñón. CHEMISTRY-A EUROPEAN JOURNAL. Num. 31. Vol. 18 . pp. 9612-9621. 2012. Científic.


• A QM/MM study of the complexes formed by aluminum and iron with serum transferrin at neutral and acidic pH
J.I. Mujika, X. Lopez, E. Rezabal, Raquel Castillo Solsona, Sergio Martí Forés, Vicente Moliner Ibáñez, J.M. Ugalde. JOURNAL OF INORGANIC BIOCHEMISTRY . Num. 11. Vol. 105 . pp. 1446-1456. 2011. Científic.


• A DFT Study of the Reactivity Indexes of Ionic (4 + 2+) Diels-Alder Cycloaddition to Nitrilium and Immonium Ions
Raquel Castillo Solsona, Juan Manuel Andrés Bort. LETTERS IN ORGANIC CHEMISTRY . Num. 2. Vol. 8 . pp. 104-107. 2011. Científic.


• Do Dynamic Effects Play a Significant Role in Enzymatic Catalisis? A Theoretical Analysis of Formate Dehydrogenase
María Teresa Roca Moliner, Mónica Oliva Domínguez, Raquel Castillo Solsona, Vicente Moliner Ibáñez, Iñaki Tuñón. CHEMISTRY-A EUROPEAN JOURNAL. Num. 37. Vol. 16 . pp. 11399-11411. 2010. Científic.


• Quantum Mechanical/Molecular Mechanical Molecular Dynamics Simulation of Wild-Type and Seven Mutants of CpNag.J in Complex with PUGNAc
Jeronimo Lameira, Claudio Nahum, Vicente Moliner Ibáñez, Sergio Martí Forés, Raquel Castillo Solsona, Iñaki Tuñón. JOURNAL OF PHYSICAL CHEMISTRY B . Num. 20. Vol. 114 . pp. 7029-7036. 2010. Científic.


• A theorical study of the mechanism of the base-promoted decomposition of N-chloro,N-methylethanolamine
Daniel R. Ramos, Raquel Castillo Solsona, Moisés Canle L., M. Victoria García, Juan Manuel Andrés Bort, J. Arturo Santaballa. ORGANIC & BIOMOLECULAR CHEMISTRY . Num. 9. Vol. 7 . pp. 1807-1814. 2009. Científic.


• A theoretical study of the catalytic mechanism of formate dehydrogenase
Raquel Castillo Solsona, Mónica Oliva Domínguez, Sergio Martí Forés, Vicente Moliner Ibáñez. JOURNAL OF PHYSICAL CHEMISTRY B . Num. 32. Vol. 112 . pp. 10012-10022. 2008. Científic.


• A quantum mechanic/molecular mechanic study of the wild type and N155S mutant HIV-1 integrase complexed with diketo acid
Claudio Nahum, Sergio Martí Forés, Raquel Castillo Solsona, Juan Manuel Andrés Bort, Vicente Moliner Ibáñez, Inaki Tuñón, Estanislao Silla. BIOPHYSICAL JOURNAL. Num. 7. Vol. 94 . pp. 2443-2451. 2008. Científic.


• Using grote-hynes theory to quantify dynamical effects on the reaction rate of enzymatic processes. The case of methyltransferases
Raquel Castillo Solsona, María Teresa Roca Moliner, Alejandro Soriano, Vicente Moliner Ibáñez, Iñaki Tuñón. JOURNAL OF PHYSICAL CHEMISTRY B . Num. 2. Vol. 112 . pp. 529-534. 2008. Científic.


• Calculation of binding energy using BLYP/MM for the HIV-1 integrase complexed with the S-1360 and two analogues
Cláudio N. Alves, Sergio Martí Forés, Raquel Castillo Solsona, Juan Manuel Andrés Bort, Vicente Moliner Ibáñez, Iñaki Tuñon, Estanislao Silla. BIOORGANIC & MEDICINAL CHEMISTRY . Num. 11. Vol. 15 . pp. 3818-3824. 2007. Científic.


• A quantum mechanics/molecular mechanics study of the protein-ligand interaction for inhibitors of HIV-1 integrase
Cláudio N. Alves, Sergio Martí Forés, Raquel Castillo Solsona, Juan Manuel Andrés Bort, Vicente Moliner Ibáñez, Iñaki Tuñón, Estanislao Silla. CHEMISTRY-A EUROPEAN JOURNAL. Num. 27. Vol. 13 . pp. 7715-7724. 2007. Científic.


• Homofugality: a new reactivity index describing the leaving group ability in homolytic substitution reactions
Doris Guerra, Raquel Castillo Solsona, Juan Manuel Andrés Bort, P. Fuentealba, A. Aizman, R. Contreras. CHEMICAL PHYSICS LETTERS . Num. 424. pp. 437-442. 2006. Científic.


• Density functional study on the Hoffmann elimination of (N-Cl), N-methylethanolamine in gas phase and in aqueous solution
D.R. Ramos, Raquel Castillo Solsona, M. Canle L., M.V. García, Juan Manuel Andrés Bort, J.A. Santaballa. CHEMICAL PHYSICS LETTERS . Num. 4-6. Vol. 429 . pp. 425-429. 2006. Científic.


• Catalysis in glycine N-methyltransferase. Testing electrostatic stabilization and compression hypothesis
Alejandro Soriano, Raquel Castillo Solsona, Chisto Christov, Juan Manuel Andrés Bort, Vicente Moliner Ibáñez. BIOCHEMISTRY. Num. 50. Vol. 45 . pp. 14917-14925. 2006. Científic.


• Lewis Acid Mediated Reaction between 2-cyclohexenone and methyl azide. A DFT study
Raquel Castillo Solsona, Juan Manuel Andrés Bort, L.R. Domingo. EUROPEAN JOURNAL OF ORGANIC CHEMISTRY . Num. 21. pp. 4705-4709. 2005. Científic.


• Effect of electron-withdrawing substituents on the electrophilicity of carbonyl carbons
R. Contreras, Juan Manuel Andrés Bort, L.R. Domingo, Raquel Castillo Solsona, P. Pérez. TETRAHEDRON . Num. 2. Vol. 61 . pp. 417-422. 2005. Científic.


• A Joint Experimental and Theoretical Study on the Mechanisms of Methyl-2-Hydroxypropionate and Methyl-2-Hydroxyisobutyrate Decomposition in Gas Phase
Vicente Sixto Safont Villarreal, Juan Manuel Andrés Bort, Raquel Castillo Solsona, Gabriel Chuchani, Alexandra Rotinov, Rosa M. Domínguez, A. Herize. JOURNAL OF PHYSICAL CHEMISTRY A . Num. 6. Vol. 108 . pp. 996-1007. 2004. Científic.


• Understanding the Molecular Mechanism of the 1,3-Dipolar Cycloaddition between Fulminic Acid and Acetylene in Terms of the Electron Localization Function and Catastrophe Theory
Victor Polo, Juan Manuel Andrés Bort, Raquel Castillo Solsona, Slawomir Berski, Bernard Silvi. CHEMISTRY-A EUROPEAN JOURNAL. Num. 20. Vol. 10 . pp. 5165-5172. 2004. Científic.


• Role of Protein Flexibility in Enzymatic Catalysis: Quantum Mechanical-Molecular Mechanical Study of the Deacylation Reaction in Class A b-Lactamases
Raquel Castillo Solsona, Estanislao Silla, Iñaki Tuñón. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY . Num. 124. pp. 1809-1816. 2002. Científic.


• Quantum Mechanical/Molecular Mechanical Study on the Favorskii Rearrangement in Aqueous Media
Raquel Castillo Solsona, Juan Manuel Andrés Bort, Vicente Moliner Ibáñez. JOURNAL OF PHYSICAL CHEMISTRY B . Num. 12. Vol. 105 . pp. 2453-2460. 2001. Científic.


• A Theoretical Study on the Molecular Mechanism for the Normal Reimer-Tiemann Reaction
Raquel Castillo Solsona, Vicente Moliner Ibáñez, Juan Manuel Andrés Bort. CHEMICAL PHYSICS LETTERS . Num. 1-3. Vol. 318 . pp. 270-275. 2000. Científic.


• Catalytic Mechanism of Dihydrofolate Reductase Enzyme. A Combined Quantum-Mechanical/Molecular Mechanical Characterisation of Transition State Structure for the Hydride Transfer Step
Raquel Castillo Solsona, Juan Manuel Andrés Bort, Vicente Moliner Ibáñez. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY . Num. 51. Vol. 121 . pp. 12140-12147. 1999. Científic.


• Theoretical Study on the Molecular Mechanism of the Domino Pathways for the Squarate Ester Sequential Reactions
Mónica Oliva Domínguez, Vicente Sixto Safont Villarreal, Juan Manuel Andrés Bort, Raquel Castillo Solsona, Vicente Moliner Ibáñez. JOURNAL OF PHYSICAL ORGANIC CHEMISTRY . Num. 1. Vol. 12 . pp. 61-68. 1999. Científic.


• Theoretical Investigation of the Abnormal Reimer-Tiemann Reactione
Raquel Castillo Solsona, Vicente Moliner Ibáñez, Juan Manuel Andrés Bort, Mónica Oliva Domínguez, Vicente Sixto Safont Villarreal. JOURNAL OF PHYSICAL ORGANIC CHEMISTRY . Num. 8-9. Vol. 11 . pp. 670-677. 1998. Científic.


• A PM3 Semiempirical Study of the Molecular Mechanism for the Favorskii Rearrangement of the a-Chlorocyclobutanone
Raquel Castillo Solsona, Vicente Moliner Ibáñez, Vicente Sixto Safont Villarreal, Mónica Oliva Domínguez, Juan Manuel Andrés Bort. JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM. Num. Special Issue. Vol. 426 . pp. 299-306. 1998. Científic.


• A Theoretical Study of the Addition of CH3MgCl to Chiral a-Alkoxy Carbonyl Compounds
Vicente Sixto Safont Villarreal, Vicente Moliner Ibáñez, Mónica Oliva Domínguez, Raquel Castillo Solsona, Juan Manuel Andrés Bort. JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM. Num. Special Issue. Vol. 426 . pp. 263-275. 1998. Científic.


• A Theoretical Study of the Favorskii Rearrangement. Calculation of Gas-Phase Reaction Paths and Solvation Effects on the Molecular Mechanism for the Transposition of a-Chlorocyclobutanone
Vicente Moliner Ibáñez, Raquel Castillo Solsona, Vicente Sixto Safont Villarreal, Mónica Oliva Domínguez, Juan Manuel Andrés Bort. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY . Num. 8. Vol. 119 . pp. 1941-1947. 1997. Científic.


• A Semiempirical Study on the Ring Opening Process for the Cyclopropanone, 2,2-Dimethylcyclopropanone, trans-2,3-Di-tert-Butylcyclopropanone and Spiro(bicyclo[2.2.1]heptane-2.1'-cyclopropan)-2'-one Sys
Raquel Castillo Solsona, Juan Manuel Andrés Bort, Vicente Moliner Ibáñez, Vicente Sixto Safont Villarreal, Mónica Oliva Domínguez. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY . Num. 5. Vol. 65 . pp. 729-738. 1997. Científic.


• Understanding the Mechanism of the Addition of Organomagnesium Reagents to 2-hydroxypropanal. An Ab Initio Molecular Orbital Analysis
Mónica Oliva Domínguez, Vicente Sixto Safont Villarreal, Juan Manuel Andrés Bort, Raquel Castillo Solsona, Vicente Moliner Ibáñez. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY . Num. 5. Vol. 65 . pp. 719-728. 1997. Científic.

Capítols de llibre

• Hybrid QM/MM Studies on Chemical Reactivity
Raquel Castillo Solsona, Mónica Oliva Domínguez, Sergio Martí Forés, Vicente Moliner Ibáñez, I. Tuñón, Juan Manuel Andrés Bort. Recent Research Developments in Quantum Chemistry, Vol 3. India. Ed. Transworld Research Network. 2002. ISBN 817895043X. Científic.

Ponències a congressos

• Molecular Simulations of Iminium Organocatalysis anchored to Streptavidin
A.R. Nodling, L.Y.P. Luk, Katarzyna Patrycja Swiderek, Vicente Moliner Ibáñez, Raquel Castillo Solsona. XXXVII Reunión Bienal de la Real Sociedad Española de Química (RSEQ). Donostia - San Sebastian (Espanya). 26-05-2019. Científic. 2019.


• QM/MM theoretical studies of enzyme catalyzed reactions
Vicente Moliner Ibáñez, Sergio Martí Forés, Raquel Castillo Solsona, Katarzyna Patrycja Swiderek, María Teresa Roca Moliner, Kemel Arafet Cruz, Manuel Delgado, Daria De Raffele, Natalia Serrano Aparicio. 6th International Iberian Biophysics Congress X Iberoamerican Congress of Biophysics (2018 IIBC). Castelló (Espanya). 22-06-2018. Científic. 2018. ISSN 2445-4311.


• Substrate-assisted versus asp-assisted phosphoryl transfer mechanism in dihydroxyacetone kinase
Isabel Bordes Pastor, Raquel Castillo Solsona, Vicente Moliner Ibáñez. ESPA2016. Castelló (Espanya). 28-06-2016. Científic. 2016.


• New theoretical insights into the mechanism of human aromatase (CYP19A1). Exploration of its hitherto unknown second catalytic subcycle
Ignacio Viciano Gonzalo, Raquel Castillo Solsona, Sergio Martí Forés. 10th Congress on Electronic Structure: Principles and Applications (ESPA2016). Castellón (Espanya). 28-06-2016. Científic. 2016.


• A QM/MM Study of Phosphate transfer to Dihydroxyacetone in Dihydroxyacetone Kinase from Escherichia Coli (Pòsster)
Isabel Bordes Pastor, Raquel Castillo Solsona, José Javier Ruiz Pernia, Vicente Moliner Ibáñez. 7tn Internacional Theoretical Biophisics Symposium (THEOBIO2015). Cagliari (Itàlia). 08-06-2015. Científic. 2015.


• A QM/MM Study of Phosphate Transfer to Dihydroxyacetone in Aqueous Solution
Isabel Bordes Pastor, Raquel Castillo Solsona, José Javier Ruiz Pernia, Vicente Moliner Ibáñez. 9th Congress on Electronic Structure: Principles and Applications. (ESPA 2014). Badajoz (Espanya). 02-07-2014. Científic. 2014.


• Effects of possible mutations in dihydroxyacetone kinase using inorganic polyphosphate as phosphate donor
Isabel Bordes Pastor, Raquel Castillo Solsona, José Javier Ruiz Pernia, Vicente Moliner Ibáñez, E. Garcia-Junceda. XXXIX Congreso Internacional de Químicos Teóricos de Expresión Latina (QUITEL 2013). Granada (Espanya). 30-06-2013. Científic. 2013. Ed. Instituto Andaluz de Ciencias de la Tierra. ISBN 9788469581513.


• Estudio teórico QM/MM de la hidroxilación de sustratos catalizada por el Citocromo P450 Aromatasa (CYP19A1)
Ignacio Viciano Gonzalo, Raquel Castillo Solsona, Sergio Martí Forés. XXXVIII Congress of Theoretical Chemists of Latin Expression. Natal (Brasil). 02-12-2012. Científic. 2012.


• Electron transference pathways analysis in Trypsin-solubilized bovine liver cytochrome b5
Isabel Bordes Pastor, Raquel Castillo Solsona, José Javier Ruiz Pernia, Vicente Moliner Ibáñez, Aurelien de la Lande. 8th Congress on Electronic Structure: Principles and Applications. Barcelona (Espanya). 26-06-2012. Científic. 2012.


• Theoretical view of formate dehydrogenase mutations.
Raquel Castillo Solsona, Mónica Oliva Domínguez, Vicente Moliner Ibáñez. World Association of Theoretical and Computational Chemist (WATOC-2011). Santiago de Compostela. 17-07-2011. Científic. 2011.


• Theoretical study of molecular mechanism of a,B-Epoxyesters
Isabel Bordes Pastor, José Javier Ruiz Pernia, Raquel Castillo Solsona, Florenci Vicent González Adelantado, Vicente Moliner Ibáñez. Ninth Triennial Congress of the World Association of Theoretical and Computational Chemists (WATOC-2011). Santiago de Compostela. 17-07-2011. Científic. 2011.


• DFT/MM studies of the cytochrome P450 aromatase inhibition by exemestane, in the treatment of breast cancer
I. Viciano, Raquel Castillo Solsona, Sergio Martí Forés. Expanding the frontiers of molecular dynamics simulations in biology. Barcelona. 23-11-2010. Científic. 2010.


• A theoretical study of the hydrolysis of organophosphates by phosphotriesterase
Raquel Castillo Solsona, V. López-Canut, Vicente Moliner Ibáñez, I. Tuñón. Expanding the frontiers of molecular dynamics simulations in biology. Barcelona. 23-11-2010. Científic. 2010.


• A theoretical of the Dynamic Effects in Formate Dehydrogenase.
Mónica Oliva Domínguez, Raquel Castillo Solsona, M.Roca, Vicente Moliner Ibáñez, I. Tuñón. 7th Congress on Electronic Structure: Principles and Applications. Oviedo. 29-06-2010. Científic. 2010.


• DFT study of Compound I and theoretical study of Two-State Reactivity of Exemestane in the first hydroxylation step of cytochrome P450 Aromatase.
I. Viciano, Ignacio Viciano Gonzalo, Raquel Castillo Solsona, Sergio Martí Forés. 7th Congress on Electronic Structure: Principles and Applications. Oviedo (Espanya). 29-06-2010. Científic. 2010.


• DFT/MM Studies of The Exemestane as an aromatase inhibitor in the treatment of female breast cancer.
I. Viciano, Ignacio Viciano Gonzalo, Raquel Castillo Solsona, Sergio Martí Forés, Vicente Moliner Ibáñez. International Symposium of Theoretica Biophysics. Roscoff (França). 29-06-2010. Científic. 2010.


• Effects of Ionic Media on a Diels-Alder Reaction: A Theorical QM/MM Study
Raquel Castillo Solsona, Mónica Oliva Domínguez, Vicente Sixto Safont Villarreal, Juan Manuel Andrés Bort, R. Contreras. Theoretical Chemistry: Modeling Reactivity From Gas Phase To Biomolecules and Solids. Barcelona. 29-06-2009. Científic. 2009.


• Dynamic Effects in a hydride transfer reaction catalyzed by Formate Dehydrogenase
María Teresa Roca Moliner, Mónica Oliva Domínguez, Raquel Castillo Solsona, Vicente Moliner Ibáñez, Iñaki Tuñón. Theoretical Chemistry: Modeling Reactivity From Gas Phase To Biomolecules and Solids. Barcelona. 29-06-2009. Científic. 2009.


• A QM/MM study of the rate limiting step in the Formate Dehydrogenase
Raquel Castillo Solsona, Mónica Oliva Domínguez, Sergio Martí Forés, Vicente Moliner Ibáñez. Isotopes07. Benicàssim (Spain). 27-05-2007. Científic. 2007.


• Estudo QM/MM de inibidores de integrase do HIV-1
Cláudio N. Alves, Sergio Martí Forés, Raquel Castillo Solsona, Juan Manuel Andrés Bort, Vicente Moliner Ibáñez, Iñaki Tuñón, Estanislao Silla. Chitel 2006. Côtes de Carthage (Tunísia). 01-09-2006. Científic. 2006.


• Rational design of improved biological catalysts from computational chemistry techniques
Sergio Martí Forés, Raquel Castillo Solsona, Juan Manuel Andrés Bort, Vicente Moliner Ibáñez, E. Silla, I. Tuñón, J. Bertrán. ESPA 2006. Electronic Structure: Principles and Applications. Santiago de Compostela (España). 18-07-2006. Científic. 2006.


• QM/MM Modelling of the formate ion oxydation to CO2 by formate dehydrogenase
Mónica Oliva Domínguez, Raquel Castillo Solsona, Sergio Martí Forés, Juan Manuel Andrés Bort, Vicente Moliner Ibáñez. 2006 ISQBP President's Meeting.. Estrasburgo (França). 24-06-2006. Científic. 2006.


• A QM/MM study of the protein-ligand interaction energy for inhibitors of HIV-1 IN
C. N. Alves, Sergio Martí Forés, Vicente Moliner Ibáñez, Juan Manuel Andrés Bort, Raquel Castillo Solsona, I. Tuñon, E. Silla. MedChem Europe 2006. Praga (República Txeca). 21-02-2006. Científic. 2006.


• A Theoretical Approach to the Study of Chemical Reactions in Biological Catalysis
Natalia Kanaan Izquierdo, Sergio Martí Forés, María Teresa Roca Moliner, Raquel Castillo Solsona, Juan Manuel Andrés Bort, Vicente Moliner Ibáñez, Silvia Ferrer, Iñaki Tuñon, Estanislao Silla, Juan Bertrán, Ian H. Williams, Amnon Kohen. Isotopes in Biological and Chemical Sciences. GRC. Ventura, California, EEUU. 12-02-2006. Científic. 2006.


• Effect of fused silica capillary on the chromatographic behaviour of As, Se and Cr speciation by µHPLC-ICPMS
Antoni Francesc Roig Navarro, Raquel Castillo Solsona, Félix Javier Hernández Hernández. 11as Jornadas de Análisis Instrumental. Barcelona. 15-11-2005. Científic. 2005.


• QM/MM Modelling of the methanol oxydation by quinoprotein methanol dehydrogenase
Juan Manuel Andrés Bort, Raquel Castillo Solsona, Mónica Oliva Domínguez, Vicente Moliner Ibáñez. Quantum Atomic & Molecular Tunneling in Solids and Other Condensed Phases. Santiago de Compostela. 27-07-2005. Científic. 2005.


• A QM/MM Study of the rate limiting step in the Formate Dehydrogenase
Mónica Oliva Domínguez, Raquel Castillo Solsona, Sergio Martí Forés, Juan Manuel Andrés Bort, Vicente Moliner Ibáñez. Computational Chemical Dynamics. Minnesota (Estats Units). 07-10-2004. Científic. 2004.


• Theoretical Insights in Enzyme Catalysis. Towards a rational Design of Catalytic Antibodies
Vicente Moliner Ibáñez, Sergio Martí Forés, María Teresa Roca Moliner, Raquel Castillo Solsona, Juan Manuel Andrés Bort, Silvia Ferrer, Iñaki Tuñon, Estanislao Silla, Juan Beltrán, Ian H.Williams. ESPA 2004. Electronic Structure. Principles and Applications. Valladolid. España. 15-09-2004. Científic. 2004.


• A Theoretical Approach to the Study of Enzyme Catalysis. Theory and Applications
Vicente Moliner Ibáñez, Sergio Martí Forés, María Teresa Roca Moliner, Raquel Castillo Solsona, Juan Manuel Andrés Bort, Silvia Ferrer, Iñaki Tuñon, Estanislao Silla, Juan Beltrán, Ian H. Willians. m-Theochem. Modelling and Understanding in Theoretical Chemistry. Luca (Itàlia). 01-08-2004. Científic. 2004.


• Theoretical Study of the catalytic mechanism of glycine-N-methyltransferase
C. Chiristov, A.Soriano, Raquel Castillo Solsona, B. Moliner, I.Tuñon, Juan Manuel Andrés Bort. 2004 ISQBP President's Meeting. Como (Itàlia). 05-06-2004. Científic. 2004.


• QM/MM Modelling of the Rate Limiting Step Catalyzed by Formate Dehydrogenase: the Hydride Transfer
Mónica Oliva Domínguez, Raquel Castillo Solsona, Juan Manuel Andrés Bort, Vicente Moliner Ibáñez. Modeling Chemical Reactivity: From Gas-Phase to Solution and Enzymes.. Nancy (França). 16-04-2003. Científic. 2003.


• A QM/MM Study of the B-Lactamases enzymes
Raquel Castillo Solsona, I. Tuñón, E. Silla. WATOC'02. Lugano, Switzerland. 04-08-2002. Científic. 2002.


• A QM/MM Theoretical Study of Enzyme Reaction Mechanism. An Analysis of the Electrostatic and Mechanical Contributions
Vicente Moliner Ibáñez, Sergio Martí Forés, Raquel Castillo Solsona, Mónica Oliva Domínguez, Juan Manuel Andrés Bort, I. Tuñón, E. Silla, J. Bertrán, M.J. Field, P. Sherwood, I.H. Williams. Electronic Structure: Prediction and Applications. Donostia. 04-10-2000. Científic. 2000.


• Estudios Teóricos de Reacciones Enzimáticas mediante Técnicas Híbridas QM/MM
Vicente Moliner Ibáñez, Sergio Martí Forés, Raquel Castillo Solsona, Mónica Oliva Domínguez, Juan Manuel Andrés Bort, I. Tuñón, E. Silla, J. Bertran, J. Field, I.H. Williams. XXVI Congresso dos Químicos Teóricos de Expressao Latina. Caxambu (Brasil). 03-09-2000. Científic. 2000.


• QM/MM Modelling of Oxydation of Formate to CO2 in the Active Site of Formate Dehydrogenase
Mónica Oliva Domínguez, Raquel Castillo Solsona, Vicente Sixto Safont Villarreal, Juan Manuel Andrés Bort, Vicente Moliner Ibáñez, P. Sherwood, Ian H. Williams. Computational Biophysics 2000. Nice. 13-06-2000. Científic. 2000.


• Theoretical Study of Enzyme Reaction Mechanisms by a Hybrid QM/MM Method.
Vicente Moliner Ibáñez, Vicente Sixto Safont Villarreal, Raquel Castillo Solsona, Sergio Martí Forés, Mónica Oliva Domínguez, Juan Manuel Andrés Bort, A. J. Turner, I.A. Williams. 5th World Congress of Theoretically Oriented Chemists WATOC99. Londres. 01-08-1999. Científic. 1999.


• Theoretical Studies on the Gas Phase Decompositions of Several Carboxylic Acid Derivatives.
Vicente Sixto Safont Villarreal, Juan Manuel Andrés Bort, Mónica Oliva Domínguez, Raquel Castillo Solsona, Vicente Moliner Ibáñez, L.R. Domingo, G. Chuchani. 5th World Congress of Theoretically Oriented Chemists WATOC99. Londres. 01-08-1999. Científic. 1999.


• A Theoretical Study Of Favorskii Rearrangement by a Hibrid QM/MM Method in Aqueous Solution.
Raquel Castillo Solsona, Juan Manuel Andrés Bort, Vicente Moliner Ibáñez. 5th World Congress of Theoretically Oriented Chemists. Londres. 01-08-1999. Científic. 1999.


• Estructura i Reactivitat Química. Efectes del Medi: Dissolvent i Enzims
Juan Manuel Andrés Bort, Armando Beltrán Flors, Rosa María Llusar Barelles, Vicente Sixto Safont Villarreal, Vicente Moliner Ibáñez, Joaquín Jose Queralt Gimeno, Mónica Oliva Domínguez, Raquel Castillo Solsona, Sergio Martí Forés, Mònica Calatayud Antonino. XV Reunió del Grup de Química Teòrica de Catalunya. Bellaterra (Espanya). 14-06-1999. Científic. 1999.


• Theoretical modelling of reaction mechanisms by a hybrid QM/MM method
Vicente Moliner Ibáñez, Vicente Sixto Safont Villarreal, Raquel Castillo Solsona, Sergio Martí Forés, Mónica Oliva Domínguez, Juan Manuel Andrés Bort. Molecular Structure and Dynamics in Biology. Elba (Itàlia). 08-09-1998. Científic. 1998.


• Molecular mechanisms for the carboxylation and oxygenation sequences catalyzed by Rubisco Enzyme.
Vicente Sixto Safont Villarreal, Vicente Moliner Ibáñez, Mónica Oliva Domínguez, Raquel Castillo Solsona, Juan Manuel Andrés Bort, Orlando Tapia. Molecular Structure and Dynamics in Biology. Elba (Itàlia). 08-09-1998. Científic. 1998.


• Theoretical QM/MM study of enzyme reaction mechanisms
Vicente Moliner Ibáñez, Raquel Castillo Solsona, Sergio Martí Forés, Juan Manuel Andrés Bort. 14 th International Conference on Physical Organic Chemistry. 4th Latin American Conference on Physical Organic Chemistry. Florianópolis, Santa Catarina. Brazil. 16-08-1998. Científic. 1998.


• QM/MM Transition Structure Characterization for Enzyme Molecular Mechanisms
Vicente Moliner Ibáñez, Raquel Castillo Solsona, Sergio Martí Forés, Mónica Oliva Domínguez, Vicente Sixto Safont Villarreal, Juan Manuel Andrés Bort, I. Tuñón, E. Silla, I.H. Williams, A.J. Turner, O. Tapia. European Conference: Computational Chemistry and the Living World. From Sequence to Function. Chambery. 20-04-1998. Científic. 1998.


• Transition Structure Invariances in Rubisco Catalytic Mechanism: Modelling the Magnesium Coordination Sphere effects on TSs
Mónica Oliva Domínguez, Vicente Sixto Safont Villarreal, Raquel Castillo Solsona, Juan Manuel Andrés Bort, Orlando Tapia. Third European Workshop on Quantum Systems in Chemistry and Physics. Granada. 19-04-1998. Científic. 1998.


• A Hybrid QM/MM Theoretical Study of the Favorskii Rearrangement
Raquel Castillo Solsona, Sergio Martí Forés, Mónica Oliva Domínguez, Vicente Moliner Ibáñez, Juan Manuel Andrés Bort. Third European Workshop on Quantum Systems in Chemistry and Physics. Granada. 19-04-1998. Científic. 1998.

Comités de congresos

• Juan Manuel Andrés Bort, Armando Beltrán Flors, Vicente Moliner Ibáñez, Vicente Sixto Safont Villarreal, Raquel Castillo Solsona, Silvia Ferrer Castillo, Lourdes Gracia Edo, Rosa María Llusar Barelles, Sergio Martí Forés, Mónica Oliva Domínguez, José Javier Ruiz Pernia, María Teresa Roca Moliner. 10th Congress on Electronic Structure: Principles and Applications (ESPA2016). Castellón (Espanya). 28-06-2016. Científic.


• Vicente Moliner Ibáñez, Juan Manuel Andrés Bort, Raquel Castillo Solsona, Sergio Martí Forés. Isotopes07. Benicàssim (Spain). 27-05-2007. Científic.

Referee de publicacions periòdiques

• Raquel Castillo Solsona. 2018 JOURNAL OF PHYSICAL CHEMISTRY.


• Raquel Castillo Solsona. 2013 COMPUTERS IN BIOLOGY AND MEDICINE.


• Raquel Castillo Solsona. 2011 CHEMICAL PHYSICS LETTERS.