| 35196960 | Identification of new putative inhibitors of <i>Mycobacterium tuberculosis</i> 3-dehydroshikimate dehydratase from a combination of ligand- and structure-based and deep learning <i>in silico</i> approaches. | J Biomol Struct Dyn | 2023 |
| 36871056 | Molecular-evaluated and explainable drug repurposing for COVID-19 using ensemble knowledge graph embedding. | Sci Rep | 2023 |
| 36844150 | A new class of peptides from wasp venom: a pathway to antiepileptic/neuroprotective drugs. | Brain Commun | 2023 |
| 35196960 | Identification of new putative inhibitors of <i>Mycobacterium tuberculosis</i> 3-dehydroshikimate dehydratase from a combination of ligand- and structure-based and deep learning <i>in silico</i> approaches. | J Biomol Struct Dyn | 2023 |
| 36844150 | A new class of peptides from wasp venom: a pathway to antiepileptic/neuroprotective drugs. | Brain Commun | 2023 |
| 36871056 | Molecular-evaluated and explainable drug repurposing for COVID-19 using ensemble knowledge graph embedding. | Sci Rep | 2023 |
| 35754360 | Singular Interface Dynamics of the SARS-CoV-2 Delta Variant Explained with Contact Perturbation Analysis. | J Chem Inf Model | 2022 |
| 35458779 | Computational Strategy for Minimizing Mycotoxins in Cereal Crops: Assessment of the Biological Activity of Compounds Resulting from Virtual Screening. | Molecules | 2022 |
| 35754360 | Singular Interface Dynamics of the SARS-CoV-2 Delta Variant Explained with Contact Perturbation Analysis. | J Chem Inf Model | 2022 |
| 35458779 | Computational Strategy for Minimizing Mycotoxins in Cereal Crops: Assessment of the Biological Activity of Compounds Resulting from Virtual Screening. | Molecules | 2022 |
| 32955085 | Structural insight into the catalytic mechanism and inhibitor binding of aminopeptidase A. | Biochem J | 2020 |
| 32093126 | Large-Scale Virtual Screening Against the MET Kinase Domain Identifies a New Putative Inhibitor Type. | Molecules | 2020 |
| 32955085 | Structural insight into the catalytic mechanism and inhibitor binding of aminopeptidase A. | Biochem J | 2020 |
| 32093126 | Large-Scale Virtual Screening Against the MET Kinase Domain Identifies a New Putative Inhibitor Type. | Molecules | 2020 |
| 30496872 | Repurposing approach identifies new treatment options for invasive fungal disease. | Bioorg Chem | 2019 |
| 31572335 | Two New 1,3,4-Oxadiazoles With Effective Antifungal Activity Against <i>Candida albicans</i>. | Front Microbiol | 2019 |
| 31612567 | Blind prediction of homo- and hetero-protein complexes: The CASP13-CAPRI experiment. | Proteins | 2019 |
| 31659577 | Selection of potential anti-adhesion drugs by in silico approaches targeted to ALS3 from Candida albicans. | Biotechnol Lett | 2019 |
| 31652525 | A Chemosensory GPCR as a Potential Target to Control the Root-Knot Nematode <i>Meloidogyne incognita</i> Parasitism in Plants. | Molecules | 2019 |
| 30496872 | Repurposing approach identifies new treatment options for invasive fungal disease. | Bioorg Chem | 2019 |
| 31073337 | Characterization of a relaxase belonging to the MOB<sub>T</sub> family, a widespread family in Firmicutes mediating the transfer of ICEs. | Mob DNA | 2019 |
| 31163021 | Antifungal activity of two oxadiazole compounds for the paracoccidioidomycosis treatment. | PLoS Negl Trop Dis | 2019 |
| 31659577 | Selection of potential anti-adhesion drugs by in silico approaches targeted to ALS3 from Candida albicans. | Biotechnol Lett | 2019 |
| 31652525 | A Chemosensory GPCR as a Potential Target to Control the Root-Knot Nematode <i>Meloidogyne incognita</i> Parasitism in Plants. | Molecules | 2019 |
| 31612567 | Blind prediction of homo- and hetero-protein complexes: The CASP13-CAPRI experiment. | Proteins | 2019 |
| 31572335 | Two New 1,3,4-Oxadiazoles With Effective Antifungal Activity Against <i>Candida albicans</i>. | Front Microbiol | 2019 |
| 31073337 | Characterization of a relaxase belonging to the MOB<sub>T</sub> family, a widespread family in Firmicutes mediating the transfer of ICEs. | Mob DNA | 2019 |
| 31163021 | Antifungal activity of two oxadiazole compounds for the paracoccidioidomycosis treatment. | PLoS Negl Trop Dis | 2019 |
| 27701764 | Modeling and minimizing CAPRI round 30 symmetrical protein complexes from CASP-11 structural models. | Proteins | 2017 |
| 28877217 | Involvement of arginine 878 together with Ca2+ in mouse aminopeptidase A substrate specificity for N-terminal acidic amino-acid residues. | PLoS One | 2017 |
| 27701764 | Modeling and minimizing CAPRI round 30 symmetrical protein complexes from CASP-11 structural models. | Proteins | 2017 |
| 28877217 | Involvement of arginine 878 together with Ca2+ in mouse aminopeptidase A substrate specificity for N-terminal acidic amino-acid residues. | PLoS One | 2017 |
| 27324634 | Structure-based virtual screening of hypothetical inhibitors of the enzyme longiborneol synthase-a potential target to reduce Fusarium head blight disease. | J Mol Model | 2016 |
| 27324634 | Structure-based virtual screening of hypothetical inhibitors of the enzyme longiborneol synthase-a potential target to reduce Fusarium head blight disease. | J Mol Model | 2016 |
| 27122118 | Prediction of homoprotein and heteroprotein complexes by protein docking and template-based modeling: A CASP-CAPRI experiment. | Proteins | 2016 |
| 28105916 | GPCRs from fusarium graminearum detection, modeling and virtual screening - the search for new routes to control head blight disease. | BMC Bioinformatics | 2016 |
| 27622745 | Carbohydrate-based peptidomimetics targeting neuropilin-1: Synthesis, molecular docking study and in vitro biological activities. | Bioorg Med Chem | 2016 |
| 27770305 | Identification of novel Trypanosoma cruzi prolyl oligopeptidase inhibitors by structure-based virtual screening. | J Comput Aided Mol Des | 2016 |
| 28105916 | GPCRs from fusarium graminearum detection, modeling and virtual screening - the search for new routes to control head blight disease. | BMC Bioinformatics | 2016 |
| 27770305 | Identification of novel Trypanosoma cruzi prolyl oligopeptidase inhibitors by structure-based virtual screening. | J Comput Aided Mol Des | 2016 |
| 27622745 | Carbohydrate-based peptidomimetics targeting neuropilin-1: Synthesis, molecular docking study and in vitro biological activities. | Bioorg Med Chem | 2016 |
| 27122118 | Prediction of homoprotein and heteroprotein complexes by protein docking and template-based modeling: A CASP-CAPRI experiment. | Proteins | 2016 |
| 25359495 | New structural insights into the apelin receptor: identification of key residues for apelin binding. | FASEB J | 2015 |
| 25359495 | New structural insights into the apelin receptor: identification of key residues for apelin binding. | FASEB J | 2015 |
| 26569405 | Identification of New Antifungal Compounds Targeting Thioredoxin Reductase of Paracoccidioides Genus. | PLoS One | 2015 |
| 26569405 | Identification of New Antifungal Compounds Targeting Thioredoxin Reductase of Paracoccidioides Genus. | PLoS One | 2015 |
| 23467019 | Benchmarking of HPCC: A novel 3D molecular representation combining shape and pharmacophoric descriptors for efficient molecular similarity assessments. | J Mol Graph Model | 2013 |
| 23991109 | New binding site conformations of the dengue virus NS3 protease accessed by molecular dynamics simulation. | PLoS One | 2013 |
| 23467019 | Benchmarking of HPCC: A novel 3D molecular representation combining shape and pharmacophoric descriptors for efficient molecular similarity assessments. | J Mol Graph Model | 2013 |
| 23991109 | New binding site conformations of the dengue virus NS3 protease accessed by molecular dynamics simulation. | PLoS One | 2013 |