LEADER 01097nam a2200277 i 4500 001 991001049329707536 008 030729s2003 gw a b 001 0 eng d 020 $a3110176866 (acid-free paper) 035 $ab13312431-39ule_inst 040 $aDip.to Lingue$bita 245 00$aModality in contemporary English /$cedited by Roberta Facchinetti, Manfred Krug, Frank Palmer 260 $aBerlin ;$aNew York :$bMouton de Gruyter,$c2003 300 $axvi, 396 p. :$bill. ;$c24 cm. 440 $aTopics in English linguistics ;$vv. 44 504 $aContiene riferimenti bibliografici ed indice 650 4$aLingua inglese$xVerbi modali$vCongressi 650 4$aModalità (Linguistica) 700 1 $aFacchinetti, Roberta 700 1 $aKrug, Manfred G. 700 1 $aPalmer, Frank 907 $a.b13312431$b02-04-14$c23-05-05 912 $a991001049329707536 945 $aLE012 425 FAC$g1$i2012000099128$lle012$o-$pE0.00$q-$rl$s- $t0$u3$v0$w3$x0$y.i14075039$z23-05-05 996 $aModality in contemporary English$91104302 997 $aUNISALENTO 998 $ale012$b23-05-05$cm$da $e-$feng$ggw $h0$i0 LEADER 04571nam 22007215 450 001 9910734828903321 005 20251008150432.0 010 $a9783031338717 010 $a3031338715 024 7 $a10.1007/978-3-031-33871-7 035 $a(MiAaPQ)EBC30614306 035 $a(Au-PeEL)EBL30614306 035 $a(DE-He213)978-3-031-33871-7 035 $a(PPN)272261637 035 $a(CKB)27357712500041 035 $a(OCoLC)1389416893 035 $a(EXLCZ)9927357712500041 100 $a20230630d2023 u| 0 101 0 $aeng 135 $aurcnu|||||||| 181 $ctxt$2rdacontent 182 $cc$2rdamedia 183 $acr$2rdacarrier 200 10$aCurrent Trends in Computational Modeling for Drug Discovery /$fedited by Supratik Kar, Jerzy Leszczynski 205 $a1st ed. 2023. 210 1$aCham :$cSpringer International Publishing :$cImprint: Springer,$d2023. 215 $a1 online resource (311 pages) 225 1 $aChallenges and Advances in Computational Chemistry and Physics,$x2542-4483 ;$v35 311 08$aPrint version: Kar, Supratik Current Trends in Computational Modeling for Drug Discovery Cham : Springer International Publishing AG,c2023 9783031338700 327 $aSBDD and its challenges -- In silico discovery of class IIb HDAC inhibitors: The state of art -- Role of computational modelling in drug discovery for Alzheimer?s disease -- Computational Modeling in the Development of Antiviral Agents -- Targeted computational approaches to identify potential inhibitors for Nipah virus -- Role of Computational Modelling in Drug Discovery for HIV -- Recent insight of the emerging severe fever with thrombocytopenia syndrome virus: drug discovery, therapeutic options, and limitations -- Computational toxicological aspects in drug design and discovery, screening adverse effects -- Read-Across and RASAR tools from the DTC Laboratory -- Databases for Drug Discovery and Development. 330 $aThis contributed volume offers a comprehensive discussion on how to design and discover pharmaceuticals using computational modeling techniques. The different chapters deal with the classical and most advanced techniques, theories, protocols, databases, and tools employed in computer-aided drug design (CADD) covering diverse therapeutic classes. Multiple components of Structure-Based Drug Discovery (SBDD) along with its workflow and associated challenges are presented while potential leads for Alzheimer?s disease (AD), antiviral agents, anti-human immunodeficiency virus (HIV) drugs, and leads for Severe Fever with Thrombocytopenia Syndrome Virus (SFTSV) disease are discussed in detail. Computational toxicological aspects in drug design and discovery, screening adverse effects, and existing or future in silico tools are highlighted, while a novel in silico tool, RASAR, which can be a major technique for small to big datasets when not much experimental data are present, is presented. Thebook also introduces the reader to the major drug databases covering drug molecules, chemicals, therapeutic targets, metabolomics, and peptides, which are great resources for drug discovery employing drug repurposing, high throughput, and virtual screening. This volume is a great tool for graduates, researchers, academics, and industrial scientists working in the fields of cheminformatics, bioinformatics, computational biology, and chemistry. 410 0$aChallenges and Advances in Computational Chemistry and Physics,$x2542-4483 ;$v35 606 $aDrugs$xDesign 606 $aMolecules$xModels 606 $aChemistry$xData processing 606 $aPharmaceutical chemistry 606 $aPharmacology 606 $aStructure-Based Drug Design 606 $aMolecular Modelling 606 $aComputational Chemistry 606 $aMedicinal Chemistry 606 $aPharmacology 615 0$aDrugs$xDesign. 615 0$aMolecules$xModels. 615 0$aChemistry$xData processing. 615 0$aPharmaceutical chemistry. 615 0$aPharmacology. 615 14$aStructure-Based Drug Design. 615 24$aMolecular Modelling. 615 24$aComputational Chemistry. 615 24$aMedicinal Chemistry. 615 24$aPharmacology. 676 $a541.2 676 $a615.19 700 $aKar$b Supratik$01204526 701 $aLeszczyn?ski$b Jerzy$00 801 0$bMiAaPQ 801 1$bMiAaPQ 801 2$bMiAaPQ 906 $aBOOK 912 $a9910734828903321 996 $aCurrent Trends in Computational Modeling for Drug Discovery$93404422 997 $aUNINA