Molecular Modeling in Drug Design
This book is a printed edition of the Special Issue Molecular Modeling in Drug Design that was published in Molecules
Saved in:
| Main Authors: | , |
|---|---|
| Format: | Online |
| Sprog: | engelsk |
| Udgivet: |
MDPI - Multidisciplinary Digital Publishing Institute
2021
|
| Fag: | |
| Online adgang: | 32831 |
| Tags: |
Ingen Tags, Vær først til at tagge denne postø!
|
| _version_ | 1869517830398935040 |
|---|---|
| author | Wade, Rebecca Salo-Ahen, Outi |
| author_browse | Salo-Ahen, Outi Wade, Rebecca |
| author_facet | Wade, Rebecca Salo-Ahen, Outi |
| author_sort | Wade, Rebecca |
| collection | Directory of Open Access Books |
| description | This book is a printed edition of the Special Issue Molecular Modeling in Drug Design that was published in Molecules |
| format | Online |
| id | doab-20.500.12854ir-53851 |
| institution | Directory of Open Access Books |
| language | eng |
| publishDate | 2021 |
| publishDateRange | 2021 |
| publishDateSort | 2021 |
| publisher | MDPI - Multidisciplinary Digital Publishing Institute |
| publisherStr | MDPI - Multidisciplinary Digital Publishing Institute |
| record_format | ojs |
| spelling | doab-20.500.12854ir-538512024-04-05T12:38:57Z Molecular Modeling in Drug Design Wade, Rebecca Salo-Ahen, Outi QD1-999 Q1-390 metadynamics natural compounds virtual screening probe energies molecular dynamics simulation human ecto-5?-nucleotidase neural networks quantitative structure-activity relationship (QSAR) artificial intelligence allosterism in silico screening drug discovery amyloid fibrils mechanical stability adenosine receptors adenosine receptor ligand binding promiscuous mechanism AutoGrid dynamic light scattering resultant dipole moment density-based clustering Alzheimer’s disease drug design biophenols enzymatic assays all-atom molecular dynamics simulation fragment screening adenosine docking molecular docking cosolvent molecular dynamics turbidimetry squalene synthase (SQS) molecular recognition protein-peptide interactions extracellular loops FimH binding affinity rational drug design de novo design hyperlipidemia AR ligands aggregation property prediction PPI inhibition deep learning proteins quantitative structure-property prediction (QSPR) protein protein interactions boron cluster target-focused pharmacophore modeling ligand–protofiber interactions structure-based drug design scoring function grid maps solvent effect adhesion molecular dynamics Traditional Chinese Medicine steered molecular dynamics interaction energy EphA2-ephrin A1 molecular modeling method development thema EDItEUR::P Mathematics and Science::PN Chemistry This book is a printed edition of the Special Issue Molecular Modeling in Drug Design that was published in Molecules 2021-02-11T20:05:06Z 2021-02-11T20:05:06Z 2019-04-05 10:34:31 2019 book 32831 9783038976141 https://directory.doabooks.org/handle/20.500.12854/53851 eng image/jpeg Attribution-NonCommercial-NoDerivatives 4.0 International https://play.google.com/books/publish/a/14935057684283403269#details/ISBN:9783038976141 https://mdpi.com/books/pdfview/book/1187 MDPI - Multidisciplinary Digital Publishing Institute 10.3390/books978-3-03897-615-8 10.3390/books978-3-03897-615-8 46cabcaa-dd94-4bfe-87b4-55023c1b36d0 9783038976141 220 open access |
| spellingShingle | QD1-999 Q1-390 metadynamics natural compounds virtual screening probe energies molecular dynamics simulation human ecto-5?-nucleotidase neural networks quantitative structure-activity relationship (QSAR) artificial intelligence allosterism in silico screening drug discovery amyloid fibrils mechanical stability adenosine receptors adenosine receptor ligand binding promiscuous mechanism AutoGrid dynamic light scattering resultant dipole moment density-based clustering Alzheimer’s disease drug design biophenols enzymatic assays all-atom molecular dynamics simulation fragment screening adenosine docking molecular docking cosolvent molecular dynamics turbidimetry squalene synthase (SQS) molecular recognition protein-peptide interactions extracellular loops FimH binding affinity rational drug design de novo design hyperlipidemia AR ligands aggregation property prediction PPI inhibition deep learning proteins quantitative structure-property prediction (QSPR) protein protein interactions boron cluster target-focused pharmacophore modeling ligand–protofiber interactions structure-based drug design scoring function grid maps solvent effect adhesion molecular dynamics Traditional Chinese Medicine steered molecular dynamics interaction energy EphA2-ephrin A1 molecular modeling method development thema EDItEUR::P Mathematics and Science::PN Chemistry Wade, Rebecca Salo-Ahen, Outi Molecular Modeling in Drug Design |
| title | Molecular Modeling in Drug Design |
| title_full | Molecular Modeling in Drug Design |
| title_fullStr | Molecular Modeling in Drug Design |
| title_full_unstemmed | Molecular Modeling in Drug Design |
| title_short | Molecular Modeling in Drug Design |
| title_sort | molecular modeling in drug design |
| topic | QD1-999 Q1-390 metadynamics natural compounds virtual screening probe energies molecular dynamics simulation human ecto-5?-nucleotidase neural networks quantitative structure-activity relationship (QSAR) artificial intelligence allosterism in silico screening drug discovery amyloid fibrils mechanical stability adenosine receptors adenosine receptor ligand binding promiscuous mechanism AutoGrid dynamic light scattering resultant dipole moment density-based clustering Alzheimer’s disease drug design biophenols enzymatic assays all-atom molecular dynamics simulation fragment screening adenosine docking molecular docking cosolvent molecular dynamics turbidimetry squalene synthase (SQS) molecular recognition protein-peptide interactions extracellular loops FimH binding affinity rational drug design de novo design hyperlipidemia AR ligands aggregation property prediction PPI inhibition deep learning proteins quantitative structure-property prediction (QSPR) protein protein interactions boron cluster target-focused pharmacophore modeling ligand–protofiber interactions structure-based drug design scoring function grid maps solvent effect adhesion molecular dynamics Traditional Chinese Medicine steered molecular dynamics interaction energy EphA2-ephrin A1 molecular modeling method development thema EDItEUR::P Mathematics and Science::PN Chemistry |
| topic_facet | QD1-999 Q1-390 metadynamics natural compounds virtual screening probe energies molecular dynamics simulation human ecto-5?-nucleotidase neural networks quantitative structure-activity relationship (QSAR) artificial intelligence allosterism in silico screening drug discovery amyloid fibrils mechanical stability adenosine receptors adenosine receptor ligand binding promiscuous mechanism AutoGrid dynamic light scattering resultant dipole moment density-based clustering Alzheimer’s disease drug design biophenols enzymatic assays all-atom molecular dynamics simulation fragment screening adenosine docking molecular docking cosolvent molecular dynamics turbidimetry squalene synthase (SQS) molecular recognition protein-peptide interactions extracellular loops FimH binding affinity rational drug design de novo design hyperlipidemia AR ligands aggregation property prediction PPI inhibition deep learning proteins quantitative structure-property prediction (QSPR) protein protein interactions boron cluster target-focused pharmacophore modeling ligand–protofiber interactions structure-based drug design scoring function grid maps solvent effect adhesion molecular dynamics Traditional Chinese Medicine steered molecular dynamics interaction energy EphA2-ephrin A1 molecular modeling method development thema EDItEUR::P Mathematics and Science::PN Chemistry |
| url | 32831 |
| work_keys_str_mv | AT waderebecca molecularmodelingindrugdesign AT saloahenouti molecularmodelingindrugdesign |