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Journal of Molecular Graphics & Modelling|January 28, 2017
3D-SDAR modeling of hERG potassium channel affinity: A case study in model design and toxicophore identificationIva B Stoyanova-Slavova, Svetoslav H Slavov, Dan A Buzatu, et al.Journal of Molecular Graphics & Modelling|March 19, 2019
Understanding of the molecular mechanism of the phenylsulfenic acid elimination from nitroalkyl systemsRadomir JasińskiJournal of Molecular Graphics & Modelling|March 19, 2019
Second-order NLO properties of bis-cyclometalated iridium(Ⅲ) complexes: Substituent effect and redox switchXiang Li, Hong-Qiang Wang, Jin-Ting Ye, et al.Journal of Molecular Graphics & Modelling|March 20, 2019
Rational design of (D-A) copolymers towards high efficiency organic solar cells: DFT and TD-DFT studyWalid Taouali, Mark E Casida, Sami Znaidia, et al.Journal of Molecular Graphics & Modelling|March 26, 2019
In-silico designing and characterization of binding modes of two novel inhibitors for CB1 receptor against obesity by classical 3D-QSAR approachNaveed Khan, Sobia Ahsan Halim, Waqasuddin Khan, et al.Journal of Molecular Graphics & Modelling|November 4, 2018
GPCR homology model template selection benchmarking: Global versus local similarity measuresPaige N Castleman, Chandler K Sears, Judith A Cole, et al.Journal of Molecular Graphics & Modelling|March 31, 2019
Molecular dynamics investigation on the Asciminib resistance mechanism of I502L and V468F mutations in BCR-ABLJiu-Yu Zhan, Jie Ma, Qing-Chuan ZhengJournal of Molecular Graphics & Modelling|October 27, 2018
In silico screening of a novel scaffold for fructose-1,6-bisphosatase (FBPase) inhibitorsYunyuan Huang, Bo Chi, Yanhong Xu, et al.Journal of Molecular Graphics & Modelling|October 27, 2018
Computational exploration of the effect of molecular medium on the tautomerization of azo prodrug of 5-aminosalicylic acidAmina S Aljaber, Abdulilah Dawoud Bani-YaseenJournal of Molecular Graphics & Modelling|April 3, 2019
Insights into the structure-affinity relationships and solvation effects between OfHex1 and inhibitors using molecular dynamics simulationsSong Hu, Yawen Dong, Xiao Zhao, et al.Pageof 400