Machine Learning From Molecular Dynamics Trajectories to Predict Caspase-8 Inhibitors Against Alzheimer's Disease

scientific article published on 12 July 2019

Machine Learning From Molecular Dynamics Trajectories to Predict Caspase-8 Inhibitors Against Alzheimer's Disease is …
instance of (P31):
scholarly articleQ13442814

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P356DOI10.3389/FPHAR.2019.00780
P932PMC publication ID6639425
P698PubMed publication ID31354494

P2093author name stringAbhinav Grover
Salma Jamal
Sonam Grover
P2860cites workAlzheimer's diseaseQ55880664
PROPKA3: Consistent Treatment of Internal and Surface Residues in Empirical pKa PredictionsQ57129760
Mathematical modeling identifies inhibitors of apoptosis as mediators of positive feedback and bistabilityQ21563509
Caspase cleavage of tau: linking amyloid and neurofibrillary tangles in Alzheimer's diseaseQ24312611
The genetic landscape of Alzheimer disease: clinical implications and perspectivesQ26796582
PaDEL-descriptor: An open source software to calculate molecular descriptors and fingerprintsQ27065420
The atomic-resolution structure of human caspase-8, a key activator of apoptosisQ27619880
Involvement of caspases in proteolytic cleavage of Alzheimer's amyloid-beta precursor protein and amyloidogenic A beta peptide formationQ28143624
ChEMBL: a large-scale bioactivity database for drug discoveryQ28315179
Checking the STEP-Associated Trafficking and Internalization of Glutamate Receptors for Reduced Cognitive Deficits: A Machine Learning Approach-Based Cheminformatics Study and Its Application for Drug RepurposingQ28548306
Trust, but verify: on the importance of chemical structure curation in cheminformatics and QSAR modeling researchQ28748220
Glide: a new approach for rapid, accurate docking and scoring. 2. Enrichment factors in database screeningQ29617343
Machine learning methods for protein structure predictionQ30412176
Caspase-cleavage of tau is an early event in Alzheimer disease tangle pathologyQ30633722
Protein data bank.Q33455348
Alzheimer's disease and Abeta toxicity: from top to bottomQ34325378
Reversal of Alzheimer's-like pathology and behavior in human APP transgenic mice by mutation of Asp664.Q34598626
Cheminformatics models based on machine learning approaches for design of USP1/UAF1 abrogators as anticancer agentsQ35593976
Apoptotic mechanisms in Alzheimer neurofibrillary degeneration: cause or effect?Q35825892
The role of caspase cleavage of tau in Alzheimer disease neuropathologyQ36063543
ZINCPharmer: pharmacophore search of the ZINC databaseQ36088378
Molecular Dynamics Fingerprints (MDFP): Machine Learning from MD Data To Predict Free-Energy DifferencesQ36331531
PharmaGist: a webserver for ligand-based pharmacophore detectionQ36749332
Pharmacophore modeling and docking studies on some nonpeptide-based caspase-3 inhibitorsQ37190987
Docking and 3D-QSAR studies on isatin sulfonamide analogues as caspase-3 inhibitorsQ37399013
Cell death targets and potential modulators in Alzheimer's diseaseQ37779104
Characterizing the Chemical Space of ERK2 Kinase Inhibitors Using Descriptors Computed from Molecular Dynamics TrajectoriesQ38805207
Machine learning and molecular dynamics based insights into mode of actions of insulin degrading enzyme modulatorsQ38991633
Caspase-8, association with Alzheimer's Disease and functional analysis of rare variantsQ42371397
An efficient piecewise linear model for predicting activity of caspase-3 inhibitorsQ43009227
Protein and ligand preparation: parameters, protocols, and influence on virtual screening enrichmentsQ44012277
Tau truncation during neurofibrillary tangle evolution in Alzheimer's disease.Q45302891
Activation of caspase-8 in the Alzheimer's disease brain.Q48691018
P275copyright licenseCreative Commons Attribution 4.0 InternationalQ20007257
P6216copyright statuscopyrightedQ50423863
P921main subjectmachine learningQ2539
P304page(s)780
P577publication date2019-07-12
P1433published inFrontiers in PharmacologyQ2681208
P1476titleMachine Learning From Molecular Dynamics Trajectories to Predict Caspase-8 Inhibitors Against Alzheimer's Disease
P478volume10

Reverse relations

cites work (P2860)
Q108127160Artificial intelligence to deep learning: machine intelligence approach for drug discovery
Q90433761MBLinhibitors.com, a Website Resource Offering Information and Expertise for the Continued Development of Metallo--Lactamase Inhibitors

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