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Journal of Molecular Graphics & Modelling|August 27, 2019
4D-QSAR and MIA-QSAR study on the Bruton's tyrosine kinase (Btk) inhibitorsWenzhi Ma, Yanyu Wang, Dongchen Chu, et al.Journal of Molecular Graphics & Modelling|February 1, 2021
Torsional buckling analysis of MWCNTs considering quantum effects of fine scaling based on DFT and molecular mechanics methodM Mirnezhad, R Ansari, S R Falahatgar, et al.Journal of Molecular Graphics & Modelling|February 2, 2021
Co2YZ (Y= Cr, Nb, Ta, V and Z= Al, Ga) Heusler alloys under the effect of pressure and strainSadia Tabassam, Ali H Reshak, G Murtaza, et al.Journal of Molecular Graphics & Modelling|May 17, 2011
Binding conformation prediction between human acetylcholinesterase and cytochrome c using molecular modeling methodsSongmi Kim, Yuno Lee, Prettina Lazar, et al.Journal of Molecular Graphics & Modelling|December 17, 2010
Free energy perturbation approach for the rational engineering of the antibody for human hepatitis B virusHwangseo Park, Young Ho JeonJournal of Molecular Graphics & Modelling|February 15, 2011
An inverse docking approach for identifying new potential anti-cancer targetsSam Z Grinter, Yayun Liang, Sheng-You Huang, et al.Journal of Molecular Graphics & Modelling|January 29, 2011
Studies of tricyclic piperazine/piperidine furnished molecules as novel integrin αvβ3/αIIbβ3 dual antagonists using 3D-QSAR and molecular dockingYulian Yan, Yan Li, Shuwei Zhang, et al.Journal of Molecular Graphics & Modelling|March 1, 2011
An accurate nonlinear QSAR model for the antitumor activities of chloroethylnitrosoureas using neural networksYu Qin, Hongfei Deng, Hong Yan, et al.Journal of Molecular Graphics & Modelling|October 19, 2010
Prediction of toxicity and data exploratory analysis of estrogen-active endocrine disruptors using counter-propagation artificial neural networksNataša Stojić, Slavica Erić, Igor KuzmanovskiJournal of Molecular Graphics & Modelling|February 22, 2011
Insight into analysis of interactions of GW9508 to wild-type and H86F and H137F GPR40: a combined QM/MM study and pharmacophore modelingShao-Yong Lu, Yong-Jun Jiang, Jian-Wei Zou, et al.Pageof 406