Results 31 to 40 of about 46,324 (245)
Фармация и фармакология (Пятигорск), 2021 The aim. The number of runs in the docking process with AutoDock 4 is known to play an important role in the validity of the results obtained. The greater the number of runs it is often associated with the more valid docking results.
M.R.F. Pratama, S. Siswandono
doaj +1 more source
AutoDock-SS: AutoDock for Multiconformational Ligand-Based Virtual Screening [PDF]
Ligand-based virtual screening (LBVS) can be pivotal for identifying potential drug leads, especially when the target protein’s structure is unknown.
Huda Kadhim Salem Khalaf (18386346) +4 more
core +2 more sources
Journal of Pharmacopuncture, 2015 Objectives: Lawsone (1,4 naphthoquinone) is a non redox cycling compound that can be catalyzed by DT diaphorase (DTD) into 1,2,4-trihydroxynaphthalene (THN), which can generate reactive oxygen species by auto oxidation.
Velmani Gopal +4 more
doaj +1 more source
Jurnal Kimia Valensi, 2016 Abstrak Human Liver Glycogen Phosphorylase (HLGP), suatu katalis glikogen yang mengontrol pelepasan glukosa-1-fosfat glikogen dari hati. Enzim ini mempunyai peran sentral dalam luaran glukosa hati sehingga menjadi target obat antidiabetik.
Fitri Kusvila Aziz +4 more
doaj +1 more source
Chemical Physics Impact, 2023 The objective of this study is to recognize the potential traditional Chinese medicinal compound by virtual screening and docking analysis for the amyloid-beta disaggregation mechanism on Alzheimer's disease management.
V. Naveen Kumar +7 more
doaj +1 more source
Molecular Docking - AutoDock tool
, 2022 Docking studies will help in appropriate consideration of the protein’s active site and its interaction with the ligand. The interaction between a small molecule and a protein may result in inhibition of the protein.
Nirmaladevi Ponnusamy
core +1 more source
Iraqi Journal of Pharmaceutical Sciences, 2022 Flexible molecular docking is a computational method of structure-based drug design to evaluate binding interactions between receptor and ligand and identify the ligand conformation within the receptor pocket.
Twana Mohsin Salih
doaj +1 more source
Accelerating Drug Discovery in AutoDock-GPU with Tensor Cores
, 2023 In drug discovery, molecular docking aims at characterizing the binding of a drug-like molecule to a macromolecule. AutoDock-GPU, a state-of-the-art docking software, estimates the geometrical conformation of a docked ligand-protein complex by minimizing
Peng, Ivy,, Schieffer, Gabin,
core +1 more source
AutoDock Docking Results between mFMO and Indole
, 2023 AutoDock software was used to mimic the docking between flavin-containing monooxygenase cloned from Methylophaga sp. strain SK1 (mFMO) and indole. The structure of mFMO was from Protein Data Bank (PDB) numbered 2vq7.
Fan, C (via Mendeley Data)
core +2 more sources
SouthAfricaDigitalScience/autodock-deploy: AutoDock4 for CODE-RADE
, 2018 <p> </p> <p>Autodock Suite</p> <p>This repository contains the build and test scripts for the Autodock and Autogrid tools. This project builds autodock4, <strong>not autodock vina</strong>.
Sean Murray, Bruce Becker
core +1 more source