The Electrostatic, Lennard-Jones contributions and the total energies are shown.

The Electrostatic, Lennard-Jones contributions and the total energies are shown.

<p>The Electrostatic, Lennard-Jones contributions and the total energies are shown.</p>

محفوظ في:
التفاصيل البيبلوغرافية
المؤلف الرئيسي: Muhammad Yasir (3555896) (author)
مؤلفون آخرون: Jinyoung Park (134860) (author), Eun-Taek Han (620126) (author), Jin-Hee Han (1314552) (author), Won Sun Park (14905755) (author), Mubashir Hassan (614591) (author), Andrzej Kloczkowski (612861) (author), Wanjoo Chun (6752006) (author)
منشور في: 2024
الموضوعات:
Biochemistry
Cell Biology
Pharmacology
Biotechnology
Cancer
Biological Sciences not elsewhere classified
Chemical Sciences not elsewhere classified
Information Systems not elsewhere classified
tnf -&# 945
active soluble form
7 cell confirmed
predictive model based
learning model followed
graphconvmol model within
molecular dynamics simulation
extracted molecular features
reference tace inhibitor
key tace residues
deep learning models
tace inhibitory potential
potential tace inhibitor
decoy compounds specific
trained model
repurposing potential
molecular docking
tace ).
specific targets
integrated deep
xlink ">
using rdkit
using bms
therapeutic intervention
subsequently used
rheumatoid arthritis
raw 264
promising target
inflammatory response
inflammatory mediators
increasing utilization
holds promise
highly efficient
e datasets
e database
drug repositioning
deepchem framework
crucial role
converting pro
converting enzyme
computational results
cheminformatics toolkit
biological evaluation
approved drugs
approved drug
also known
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