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

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Year of Publication:2019
Language:English
Physical Description:1 electronic resource (220 p.)
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spelling Wade, Rebecca auth
Molecular Modeling in Drug Design
MDPI - Multidisciplinary Digital Publishing Institute 2019
1 electronic resource (220 p.)
text txt rdacontent
computer c rdamedia
online resource cr rdacarrier
This book is a printed edition of the Special Issue Molecular Modeling in Drug Design that was published in Molecules
English
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
3-03897-614-8
Salo-Ahen, Outi auth
language English
format eBook
author Wade, Rebecca
spellingShingle Wade, Rebecca
Molecular Modeling in Drug Design
author_facet Wade, Rebecca
Salo-Ahen, Outi
author_variant r w rw
author2 Salo-Ahen, Outi
author2_variant o s a osa
author_sort Wade, Rebecca
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_auth Molecular Modeling in Drug Design
title_new Molecular Modeling in Drug Design
title_sort molecular modeling in drug design
publisher MDPI - Multidisciplinary Digital Publishing Institute
publishDate 2019
physical 1 electronic resource (220 p.)
isbn 3-03897-614-8
illustrated Not Illustrated
work_keys_str_mv AT waderebecca molecularmodelingindrugdesign
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status_str n
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is_hierarchy_title Molecular Modeling in Drug Design
author2_original_writing_str_mv noLinkedField
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