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Journal of Molecular Graphics & Modelling|March 12, 2002
A novel approach for identifying the surface atoms of macromoleculesFelix Deanda, Robert S PearlmanJournal of Molecular Graphics & Modelling|May 3, 2016
CO oxidation catalyzed by silicon carbide (SiC) monolayer: A theoretical studyNan Wang, Yu Tian, Jingxiang Zhao, et al.Journal of Molecular Graphics & Modelling|February 28, 2021
OctSurf: Efficient hierarchical voxel-based molecular surface representation for protein-ligand affinity predictionQinqing Liu, Peng-Shuai Wang, Chunjiang Zhu, et al.Journal of Molecular Graphics & Modelling|February 15, 2021
A theoretical design of bipolar host materials for blue phosphorescent OLEDNguyen Van Trang, Nguyen Minh Tam, Tran Ngoc Dung, et al.Journal of Molecular Graphics & Modelling|February 16, 2021
Temperature-dependent oxidation of BSCAPE molecule in methanol mediumOlivier Holtomo, Mama Nsangou, Ousmanou MotaponJournal of Molecular Graphics & Modelling|August 4, 2019
In silico probing exercises, bioactive-conformational and dynamic simulations strategies for designing and promoting selective therapeutics against Helicobacter pylori strainsChiranjeevi Pasala, Sudheer Kumar Katari, Ravina Madhulitha Nalamolu, et al.Journal of Molecular Graphics & Modelling|July 16, 2019
Molecular modelling studies on ɑ7 nicotinic receptor allosteric modulators yields novel filter-based virtual screening protocolSara Al Rawashdah, Amar Hamrouni, Bassem Sadek, et al.Journal of Molecular Graphics & Modelling|September 1, 2019
DFT based engineering of N-heterocyclic carbenes to exacerbate its activity for SO2 fixation and storageRatan Logdi, Arijit Bag, Ashwani K TiwariJournal of Molecular Graphics & Modelling|September 4, 2019
Prediction of AChE-ligand affinity using the umbrella sampling simulationNgo Thi Lan, Khanh B Vu, Minh Khue Dao Ngoc, et al.Journal of Molecular Graphics & Modelling|August 22, 2019
Uncovering the action of ethanol controlled crystallization of 3,4-bis(3-nitrofurazan-4-yl)furoxan crystal: A molecular dynamics studyLiang Song, Feng-Qi Zhao, Si-Yu Xu, et al.Pageof 408