Publications

2021 September 14

Mapping Potential Determinants of Peroxidative Activity in an Evolved Fungal Peroxygenase from Agrocybe aegerita

2021 September 10

Probing allosteric regulations with coevolution-driven molecular simulations

2021 August 28

Prediction of protein assemblies, the next frontier: The CASP14-CAPRI experiment

2021 August 13

3dRS, a Web-Based Tool to Share Interactive Representations of 3D Biomolecular Structures and Molecular Dynamics Trajectories

2021 June 24

Structural-Based Modeling in Protein Engineering. A Must Do

2021 June 23

NetCleave: an open-source algorithm for predicting C-terminal antigen processing for MHC-I and MHC-II

2021 June 12

Previous SARS-CoV-2 Infection Increases B.1.1.7 Cross-Neutralization by Vaccinated Individuals

2021 April 20

UEP: an open-source and fast classifier for predicting the impact of mutations in protein-protein complexes

2021 March 25

Identification of Plitidepsin as Potent Inhibitor of SARS-CoV-2-Induced Cytopathic Effect After a Drug Repurposing Screen

2020 December 5

Survivin modulation in the antimelanoma activity of prodiginines

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Antibodies Antigens Docking Drug Repurposing Enzyme Directed Evolution Enzyme profiling Induced fit MD MM/QM Molecular Dynamics PELE PELE-DNA/RNA Peptides PPI RNA Software Development Target Profiling