TY  - BOOK
AU  - Tutone, Marco||Almerico, Anna Maria
TI  - Computational Approaches: Drug Discovery and Design in Medicinal Chemistry and Bioinformatics
SN  - 9783040000000
KW  - 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
UR  - https://mdpi.com/books/pdfview/book/4789
ER  -