Explore
Structural and Computational-Driven Molecule Design in Drug Discovery
0 Ungluers have
Faved this Work
Login to Fave
This Special Issue aimed to provide deep mechanistic insights into strategies in structural dynamics studies and computational methods. The areas of research included but were not limited to the following: structural dynamics studies, computer-aided drug designs, molecular dynamic simulations, molecular docking, virtual screening, QSAR, and in silico ADMET analyses.
This book is included in DOAB.
Why read this book? Have your say.
You must be logged in to comment.
Rights Information
Are you the author or publisher of this work? If so, you can claim it as yours by registering as an Unglue.it rights holder.Downloads
This work has been downloaded 7 times via unglue.it ebook links.
- 7 - pdf (CC BY-NC-ND) at Unglue.it.
Keywords
- (+)-catechin 3-gallate
- 5-acetamido-2-hydroxy benzoic acid
- ?-keto esters
- ?-sitosterol
- acetylcholinesterase
- AChE/BChE
- ADEMT
- ADME
- ADMET
- ADMET study
- AI-assisted content generation
- AI-limitations
- Alzheimer’s disease
- analgesic
- Antibacterial activity
- antimicrobial
- antioxidant activity
- Antioxidants
- antitumor activity
- artificial intelligence
- BBB
- benzofuran-1,3,4-oxadiazole
- bigel
- bioactive peptides
- biological membrane
- bitter almond
- calanolide A
- Calophyllum inophyllum
- Cancer
- Cell-Penetrating Peptides
- chickpea
- computer-aided drug design
- covalent inhibitors
- COVID-19
- Cu(II) carboxylates
- cyclic peptides
- cytotoxic iridoids
- dehydroquinate dehydratase
- dengue virus
- Desmond
- DFT
- dipole moment
- DNA binding
- docking
- donepezil
- DPP-IV inhibitors
- drug conjugates
- Drug Design
- Drug Discovery
- Drug Repositioning
- Dynamics
- E protein
- EGFR
- encoder–decoder
- enzymatic activity
- explicit membrane model
- Flavonoids
- furan-1,3,4-oxadiazole
- galactosides
- hepatitis B virus
- Hepatitis C virus
- HER2
- hTYR
- hTYRP1
- human acetylcholinesterase
- human beta-secretase 1
- human butyrylcholinesterase
- in silico
- in silico simulation
- in silico studies
- in silico study
- intracellular target
- ischemic stroke
- KEGG
- LasR and LuxS
- ligand-based design
- MD simulations
- melanogenesis
- Melatonin
- mm-pbsa
- molecular docking
- molecular dynamic
- Molecular dynamic simulations
- Molecular Dynamics
- molecular modelling
- MRSA
- MT1 and MT2
- natural bioactive compounds
- Natural Products
- network pharmacology
- Neuro-2a
- Neurodegenerative Diseases
- Neurodegenerative disorders
- Neuroprotection
- novel molecules
- Pd(II) complexes
- penetratin
- pharmacokinetic determinants
- piscean collagen
- Pks13 inhibitor
- protein kinase
- protein–protein interactions
- QSAR
- quantitative estimate of drug-likeness (QED)
- Quorum Sensing
- reinforcement learning
- RING domain
- SAR
- SARS-CoV-2
- SH-SY5Y
- shikimate pathway
- structural biology
- substituted phenylacetic acid
- tamanu oil
- terpenoids
- thema EDItEUR::M Medicine and Nursing
- thema EDItEUR::M Medicine and Nursing::MQ Nursing and ancillary services::MQP Pharmacy / dispensing
- Toxicity
- TRAF6
- transformer
- tuberclosis
- Turkish light source “Turkish DeLight”
- validity
- virtual screening
- X-ray crystallography
- X-ray structure
- Zebrafish
- zinc finger
Links
DOI: 10.3390/books978-3-7258-1013-0Editions