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In silico identification of potential phytochemical inhibitors for mpox virus: molecular docking, MD simulation, and ADMET studies by unknow
pdf | | 2024-03-22 | Author:unknow

( Category: other March 19,2026 )
You must be flexible enough to be trained, Mr. Dynamics simulator by Ammar Usman Danazumi & Haruna Isiyaku Umar
pdf | | 2023-07-12 | Author:Ammar Usman Danazumi & Haruna Isiyaku Umar

( Category: other March 19,2026 )
Curation and cheminformatics analysis of a Ugi-reaction derived library (URDL) of synthetically tractable small molecules for virtual screening application by Mukesh Tandi & Nancy Tripathi & Animesh Gaur & Balasubramanian Gopal & Sandeep Sundriyal
pdf | | 2022-12-27 | Author:Mukesh Tandi & Nancy Tripathi & Animesh Gaur & Balasubramanian Gopal & Sandeep Sundriyal

( Category: other March 19,2026 )
Multivariate QSAR, similarity search and ADMET studies based in a set of methylamine derivatives described as dopamine transporter inhibitors by unknow
pdf | | 2023-09-05 | Author:unknow

( Category: other March 19,2026 )
Discovery of novel A2AR antagonist via 3D-QSAR pharmacophore modeling: neuroprotective effects in 6-OHDA-induced SH-SY5Y cells and haloperidol-induced Parkinsonism in C57 bl6 mice by Ankit Singh & Amresh Prakash & Jyoti Mishra & Pratibha Mehta Luthra
pdf | | 2025-02-02 | Author:Ankit Singh & Amresh Prakash & Jyoti Mishra & Pratibha Mehta Luthra

( Category: other March 19,2026 )
Identification of potential flavonoid compounds as antibacterial therapeutics against Klebsiella pneumoniae infection using structure-based virtual screening and molecular dynamics simulation by Jyotirmayee Dey & Soumya Ranjan Mahapatra & T. Kiran Raj & Namrata Misra & Mrutyunjay Suar
pdf | | 2023-10-06 | Author:Jyotirmayee Dey & Soumya Ranjan Mahapatra & T. Kiran Raj & Namrata Misra & Mrutyunjay Suar

( Category: other March 19,2026 )
Emodin derivatives as promising multi-aspect intervention agents for amyloid aggregation: molecular dockingdynamics simulation, bioactivities evaluation, and cytoprotection by Rui Shen & Wenshuang Zhao & Xiangyu Li & Juanjuan Liu & Aihong Yang & Xiaodi Kou
pdf | | 2023-09-22 | Author:Rui Shen & Wenshuang Zhao & Xiangyu Li & Juanjuan Liu & Aihong Yang & Xiaodi Kou

( Category: other March 19,2026 )
Chalcone derivatives containing 1,2,4-triazole and pyridine moiety: design, synthesis, and antiviral activity by Hui Xin & Jiao Tian & Tianyu Deng & Qing Zhou & Yuhong Wang & Hong Fu & Haotao Pu & Wei Xue
pdf | | 2024-11-29 | Author:Hui Xin & Jiao Tian & Tianyu Deng & Qing Zhou & Yuhong Wang & Hong Fu & Haotao Pu & Wei Xue

( Category: other March 19,2026 )
The potential molecular markers of inflammatory response in KOA with AD based on single-cell transcriptome sequencing analysis and identification of ligands by virtual screening by Yufeng Wu & Weijian Chen & Junde Jian & Weinian Liu & Haibin Wang & Dawei Gao & Wengang Liu
pdf | | 2024-04-15 | Author:Yufeng Wu & Weijian Chen & Junde Jian & Weinian Liu & Haibin Wang & Dawei Gao & Wengang Liu

( Category: other March 19,2026 )
Discovery of novel flavonoid derivatives as potential dual inhibitors against α-glucosidase and α-amylase: virtual screening, synthesis, and biological evaluation by unknow
pdf | | 2023-06-26 | Author:unknow

( Category: other March 19,2026 )
Design, synthesis and herbicidal activity of novel cyclohexanedione derivations containing pyrazole and pyridine groups as potential HPPD inhibitors by unknow
pdf | | 2024-04-12 | Author:unknow

( Category: other March 19,2026 )
Correction: Identifying β-secretase 1 (BACE1) inhibitors from plant-based compounds: an approach targeting Alzheimer’s therapeutics employing molecular docking and dynamics simulation by unknow
pdf | | 2024-01-13 | Author:unknow

( Category: other March 19,2026 )
Novel molecular inhibitor design for Plasmodium falciparum Lactate dehydrogenase enzyme using machine learning generated library of diverse compounds by Jitendra Kuldeep & Neeraj Chaturvedi & Dinesh Gupta
pdf | | 2024-08-19 | Author:Jitendra Kuldeep & Neeraj Chaturvedi & Dinesh Gupta

( Category: other March 19,2026 )
Evaluation of the interaction between potent small molecules against the Nipah virus Glycoprotein in Malaysia and Bangladesh strains, accompanied by the human Ephrin-B2 and Ephrin- by Maryam Ebrahimi & Mahdi Alijanianzadeh
pdf | | 2023-02-20 | Author:Maryam Ebrahimi & Mahdi Alijanianzadeh

( Category: other March 19,2026 )
Prediction of probability distributions of molecular properties: towards more efficient virtual screening and better understanding of compound representations by Jarosław Duda & Sabina Podlewska
pdf | | 2022-12-31 | Author:Jarosław Duda & Sabina Podlewska

( Category: other March 19,2026 )

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