Catálogo de publicaciones - libros

Palabras clave – provistas por la editorial

3D-QSAR; pharmacophore modeling; ligand-based model; HDACs; isoform-selective histone deacetylase inhibitors; aminophenylbenzamide; hERG toxicity; drug discovery; fingerprints; machine learning; deep learning; gene expression signature; drug repositioning approaches; RNA expression regulation; high-throughput virtual screening; dual-target lead discovery; neurodegenerative disorders; Alzheimer’s disease; dual mode of action; multi-modal; nicotinic acetylcholine receptor; acetylcholinesterase; molecular docking; methotrexate; drug resistance; human dihydrofolate reductase; virtual screening; molecular dynamics simulation.; epitope binning; epitope mapping; epitope prediction; antibody:antigen interactions; protein docking; glycoprotein D (gD); herpes simplex virus fusion proteins; Src inhibitors; pharmacophore model; molecular dynamics simulations; in silico; COX-2 inhibitors; molecular modeling; sodium–glucose co-transporters 2; FimH; uropathogenic bacteria; urinary tract infections; diabetes; drug-resistance mutations; HIV-2 protease; structural characterization; induced structural deformations; SARS-CoV-2; COVID-19; multiprotein inhibiting natural compounds; MD simulation; 3CL-Pro; antivirals; docking simulations; drug repurposing; consensus models; binding space; isomeric space; MRP4; SNPs; variants; protein threading modeling; molecular dynamics; binding site; hTSPO; PK11195; cholesterol; homology modeling; molecular dynamics (MD) simulation; carbon nanotubes; Stone–Wales defects; haeckelite defects; doxorubicin encapsulation; drug delivery system; binding free energies; noncovalent interactions; main protease; mutants; inhibitors; PF-00835231; Mycobacterium tuberculosis; tuberculosis; proteasome; natural compounds; multiscale; multitargeting; polypharmacology; computational biology; drug repositioning; structural bioinformatics; proteomic signature; skin aging; oxidative stress; aging progression mechanism; genome-wide genetic and epigenetic network (GWGEN); systems medicine design; multiple-molecule drug; immunoproteasome; non-covalent inhibitors; MD binding; metadynamics; induced-fit docking; n/a