Publications by authors named "Robert Soliva"

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How Feasible Is Docking of PROTACs to POI-E3L Complexes? Testing Physics-Based and ML-Based Docking Tools.
Roberto Jiménez-Boi, Raúl Miñán, Chiara Pallara, Estrella Lozoya, Victor Guallar, Robert Soliva

J Chem Inf Model· November 2025

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Molecular simulations meet personalized medicine: The mechanism of action of CLC-5 antiporter and the origin of Dent's disease.
Veronica Macaluso, Carles Pérez, Robert Soliva, Yvonne Westermaier, Lucía Díaz

PNAS Nexus· November 2025

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Identification of the atypical antipsychotic Asenapine as a direct survivin inhibitor with anticancer properties and sensitizing effects to conventional therapies.
Cristina Benítez-García, David Martínez-García, Martin Kotev, Marta Pérez-Hernández, Yvonne Westermaier, Robert Soliva

Biomed Pharmacother· January 2025

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SETD8 inhibition targets cancer cells with increased rates of ribosome biogenesis.
Matilde Murga, Gema Lopez-Pernas, Robert Soliva, Elena Fueyo-Marcos, Corina Amor

Cell Death Dis· September 2024

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G protein-specific mechanisms in the serotonin 5-HT receptor regulate psychosis-related effects and memory deficits.
Elk Kossatz, Rebeca Diez-Alarcia, Supriya A Gaitonde, Carla Ramon-Duaso, Tomasz Maciej Stepniewski, Robert Soliva

Nat Commun· May 2024

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Characterization of p38α autophosphorylation inhibitors that target the non-canonical activation pathway.
Lorena González, Lucía Díaz, Joan Pous, Blazej Baginski, Anna Duran-Corbera, Robert Soliva

Nat Commun· June 2023

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High-Throughput Prediction of the Impact of Genetic Variability on Drug Sensitivity and Resistance Patterns for Clinically Relevant Epidermal Growth Factor Receptor Mutations from Atomistic Simulations.
Aristarc Suriñach, Adam Hospital, Yvonne Westermaier, Luis Jordà, Sergi Orozco-Ruiz, Robert Soliva

J Chem Inf Model· January 2023

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Comprehensive Characterization of the LSD1 Small Molecule Inhibitor Class in Oncology.
Natalia Sacilotto, Paola Dessanti, Michele M P Lufino, Alberto Ortega, Alejandra Rodríguez-Gimeno, Robert Soliva

ACS Pharmacol Transl Sci· December 2021

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Exploring the Conformational Landscape of Bioactive Small Molecules.
Sanja Zivanovic, Francesco Colizzi, David Moreno, Adam Hospital, Robert Soliva

J Chem Theory Comput· October 2020

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Bioactive Conformational Ensemble Server and Database. A Public Framework to Speed Up Drug Discovery.
Sanja Zivanovic, Genís Bayarri, Francesco Colizzi, David Moreno, Josep Lluís Gelpí, Robert Soliva

J Chem Theory Comput· October 2020

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DFFR: A New Method for High-Throughput Recalibration of Automatic Force-Fields for Drugs.
David Moreno, Sanja Zivanovic, Francesco Colizzi, Adam Hospital, Juan Aranda, Robert Soliva

J Chem Theory Comput· October 2020

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Δ -Tetrahydrocannabinolic acid alleviates collagen-induced arthritis: Role of PPARγ and CB receptors.
Belén Palomares, Martín Garrido-Rodriguez, Claudia Gonzalo-Consuegra, María Gómez-Cañas, Suwipa Saen-Oon, Robert Soliva

Br J Pharmacol· September 2020

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FragPELE: Dynamic Ligand Growing within a Binding Site. A Novel Tool for Hit-To-Lead Drug Design.
Carles Perez, Daniel Soler, Robert Soliva, Victor Guallar

J Chem Inf Model· March 2020

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Monte Carlo simulations using PELE to identify a protein-protein inhibitor binding site and pose.
Lucía Díaz, Daniel Soler, Gary Tresadern, Christophe Buyck, Laura Perez-Benito, Robert Soliva

RSC Adv· February 2020

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PELE-MSM: A Monte Carlo Based Protocol for the Estimation of Absolute Binding Free Energies.
Joan F Gilabert, Christoph Grebner, Daniel Soler, Daniel Lecina, Martí Municoy, Robert Soliva

J Chem Theory Comput· November 2019

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Atomistic simulations shed new light on the activation mechanisms of RORγ and classify it as Type III nuclear hormone receptor regarding ligand-binding paths.
Suwipa Saen-Oon, Estrella Lozoya, Victor Segarra, Victor Guallar, Robert Soliva

Sci Rep· November 2019

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Extensive benchmark of rDock as a peptide-protein docking tool.
Daniel Soler, Yvonne Westermaier, Robert Soliva

J Comput Aided Mol Des· July 2019

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Pushing the Limits of Computational Structure-Based Drug Design with a Cryo-EM Structure: The Ca Channel α2δ-1 Subunit as a Test Case.
Martin Kotev, Rosalia Pascual, Carmen Almansa, Victor Guallar, Robert Soliva

J Chem Inf Model· August 2018

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Challenges of docking in large, flexible and promiscuous binding sites.
Martin Kotev, Robert Soliva, Modesto Orozco

Bioorg Med Chem· October 2016

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Computational Prediction of HIV-1 Resistance to Protease Inhibitors.
Ali Hosseini, Andreu Alibés, Marc Noguera-Julian, Victor Gil, Roger Paredes, Robert Soliva

J Chem Inf Model· May 2016

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Allosteric regulation of PKCθ: understanding multistep phosphorylation and priming by ligands in AGC kinases.
Jesus Seco, Carles Ferrer-Costa, Josep M Campanera, Robert Soliva, Xavier Barril

Proteins· January 2012

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Dissection of the recognition properties of p38 MAP kinase. Determination of the binding mode of a new pyridinyl-heterocycle inhibitor family.
Robert Soliva, Josep Lluis Gelpí, Carmen Almansa, Marina Virgili, Modesto Orozco

J Med Chem· January 2007

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Molecular modelling.
Xavier Barril, Robert Soliva

Mol Biosyst· December 2006

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A fast method for the determination of fractional contributions to solvation in proteins.
David Talavera, Antonio Morreale, Tim Meyer, Adam Hospital, Carles Ferrer-Costa, Robert Soliva

Protein Sci· November 2006

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Synthesis and structure-activity relationship of a new series of COX-2 selective inhibitors: 1,5-diarylimidazoles.
Carmen Almansa, José Alfón, Alberto F de Arriba, Fernando L Cavalcanti, Ignasi Escamilla, Robert Soliva

J Med Chem· July 2003

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