Results 131 to 140 of about 1,444,758 (235)

Rational Design of Novel Inhibitors: Integrating 3D-QSAR and Molecular Dynamics. [PDF]

Biomed Res Int
Shakour N, Fayyaz A, Hadizadeh F, Sepehri S.   +3 more
europepmc   +1 more source

Molecular modeling of 7-propanamide benzoxaboroles as CPSF3 inhibitors through docking-based 3D-QSAR and molecular dynamics simulations. [PDF]

RSC Adv
Ji L, Liu Y, Xu G.
europepmc   +1 more source

3D-QSAR and free energy landscape analysis for predicting novel JAK3 inhibitors in rheumatoid arthritis therapy. [PDF]

Sci Rep
Rahimi F, Abbasi M.
europepmc   +1 more source

3D QSAR study on substituted 1, 2, 4 triazole derivatives as anticancer agents by kNN MFA approach. [PDF]

Saudi Pharm J, 2023
Desai SP, Mohite SK, Alobid S, Saralaya MG, Patil AS, Das K, Almadani ME, Arif Hussain S, Hussain Alamer B, Abdulrahman Jibreel E, Ibrahim Almoteer A, Mohammed Basheeruddin Asdaq S.   +11 more
europepmc   +1 more source

3D-QSAR Analyses of Melatonin Antagonists [PDF]

Acta Physico-Chimica Sinica, 2002
Zhu Li-Li, Xu Xiao-Jie
openaire   +1 more source

Molecular modeling of highly selective CDK1 Inhibitors based on pyrazolo-pyrimidines using 3D-QSAR, docking, and molecular dynamics simulations. [PDF]

PLoS One
Tahir MA, Chohan TA, Qayyum A, Yahya Abdullah Alzahrani A, R Alzahrani A, Ur Rehman Z, Khan A, Ashfaq K.   +7 more
europepmc   +1 more source

3D-QSAR study for the development of chalcone-based inhibitors targeting ovarian cancer cells with experimental validation. [PDF]

Front Pharmacol
Valenzuela-Valderrama M, Varas A, Rubilar M, Lorca M, Mella J, Espinosa-Bustos C, Mellado M, Echeverría J.   +7 more
europepmc   +1 more source

Synthesis, Antifungal Activity, 3D-QSAR, and Molecular Docking Study of Anethole-Based Thiazolinone-Hydrazone Compounds. [PDF]

Molecules
Chen Y, Cui YC, Bi YQ, Guo ZL, Ma XL, Duan WG, Lin GS.   +6 more
europepmc   +1 more source

Integration of machine learning in 3D-QSAR CoMSIA models for the identification of lipid antioxidant peptides. [PDF]

RSC Adv, 2023
Nha Tran TT, Thuan Tran TD, Thuy Bui TT.
europepmc   +1 more source

Discovery of New 7-Propanamide Benzoxaborole as Potent Anti-SKOV3 Agent via 3D-QSAR Models. [PDF]

Int J Mol Sci
Ji L, Zhang J, Zhou H, Zhao Y.
europepmc   +1 more source