LEADER 05648nam 2201345z- 450 001 9910566462703321 005 20220506 035 $a(CKB)5680000000037754 035 $a(oapen)https://directory.doabooks.org/handle/20.500.12854/81069 035 $a(oapen)doab81069 035 $a(EXLCZ)995680000000037754 100 $a20202205d2022 |y 0 101 0 $aeng 135 $aurmn|---annan 181 $ctxt$2rdacontent 182 $cc$2rdamedia 183 $acr$2rdacarrier 200 00$aRecent Developments on Protein-Ligand Interactions$eFrom Structure, Function to Applications 210 $aBasel$cMDPI - Multidisciplinary Digital Publishing Institute$d2022 215 $a1 online resource (282 p.) 311 08$a3-0365-3394-X 311 08$a3-0365-3393-1 330 $aProtein-ligand interactions play a fundamental role in most major biological functions. The number and diversity of small molecules that interact with proteins, whether naturally or not, can quickly become overwhelming. They are as essential as amino acids, nucleic acids or membrane lipids, enabling a large number of essential functions. One need only think of carbohydrates or even just ATP to be certain. They are also essential in drug discovery. With the increasing structural information of proteins and protein-ligand complexes, molecular modelling, molecular dynamics, and chemoinformatics approaches are often required for the efficient analysis of a large number of such complexes and to provide insights. Similarly, numerous computational approaches have been developed to characterize and use the knowledge of such interactions, which can lead to drug candidates. "Recent Developments on Protein-Ligand Interactions: From Structure, Function to Applications" was dedicated to the different aspect of protein-ligand analysis and/or prediction using computational approaches, as well as new developments dedicated to these tasks. It will interest both specialists and non-specialists, as the presented studies cover a very large spectra in terms of methodologies and applications. It underlined the variety of scientific area linked to these questions, i.e., chemistry, biology, physics, informatics, bioinformatics, structural bioinformatics and chemoinformatics. 517 $aRecent Developments on Protein?Ligand Interactions 517 $aRecent Developments on Protein–Ligand Interactions 606 $aBiochemistry$2bicssc 606 $aBiology, life sciences$2bicssc 606 $aResearch & information: general$2bicssc 610 $a2D interaction maps 610 $a3D-patterns 610 $aacetylcholinesterase 610 $aamino acid conjugation 610 $aamino-X 610 $abenzamide 610 $abiolayer interferometry 610 $abioremediation 610 $abiphenyl-conjugated bromotyrosine 610 $acalcium ions 610 $acaspase inhibition 610 $achemical communication 610 $aclick reaction 610 $aclustering 610 $acomputational analysis of protein-glycosaminoglycan interactions 610 $aconserved patterns 610 $adataset 610 $adocking and scoring 610 $adrug discovery and design 610 $aepigenetics 610 $aflavoprotein 610 $afluorescence polarization 610 $afolate 610 $afolate receptor 610 $afragment-based docking 610 $agalectin-1 610 $aglycosaminoglycans 610 $agulopyranosides 610 $aHigh Energy Molecules 610 $aHMX 610 $aIC50 610 $aimmune checkpoint inhibitors 610 $ain silico docking 610 $ain silico simulation 610 $ainsects 610 $alepidopterous 610 $aligand-binding assays 610 $amacrocyclization 610 $amolecular conformational sampling 610 $amolecular docking 610 $amolecular dynamics 610 $amolecular dynamics (MD) simulation 610 $amolecular modeling 610 $aMonte Carlo sampling 610 $aN-phenyl-1-naphthylamine 610 $anitroreductase 610 $aNMR fragment-based screening 610 $aodorant-binding protein 610 $aorganophosphorus 610 $aPD-1/PD-L1 610 $apeptide conjugation 610 $apesticides 610 $apharmacophore 610 $apharmacophore mapping 610 $apheromone 610 $aphospholipase C gamma 1 610 $apimaricin thioesterase 610 $apre-reaction state 610 $aprocollagen C-proteinase enhancer-1 610 $aprotein design 610 $aprotein-ligand analysis 610 $aprotein-ligand binding free energy 610 $aprotein-ligand complexes 610 $aprotein-ligand interactions 610 $aprotein-RNA interaction 610 $aprotein-substrate interaction 610 $arefinement 610 $aresistance 610 $aRRM domain inhibitor 610 $asecretoglobin 610 $aselective 610 $asimilarity 610 $aSLP76 610 $astructural alignment 610 $astructure-activity relationships 610 $asubstrate specificity 610 $aTDP-43 610 $avirtual screening 615 7$aBiochemistry 615 7$aBiology, life sciences 615 7$aResearch & information: general 700 $ade Brevern$b Alexandre G$4edt$01280960 702 $ade Brevern$b Alexandre G$4oth 906 $aBOOK 912 $a9910566462703321 996 $aRecent Developments on Protein-Ligand Interactions$94422380 997 $aUNINA