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Journal of Molecular Graphics & Modelling|November 21, 2019
Impact of intramolecular hydrogen bonding of gallic acid conformers on chemical shift through NMR spectroscopyFrederick Backler, Feng WangJournal of Molecular Graphics & Modelling|January 31, 2020
Predictive compression of molecular dynamics trajectoriesJan Dvořák, Martin Maňák, Libor VášaJournal of Molecular Graphics & Modelling|January 21, 2019
Assessment of the properties of chitin deacetylases showing different enzymatic action patternsDiana Larisa Roman, Marin Roman, Havard Sletta, et al.Journal of Molecular Graphics & Modelling|January 21, 2019
Second hyperpolarizability of diffuse-electron compounds M-NH3, M-NLi3 and M-NLi3-M of alkaline earth metals: Effect of lithiationAvijit Mondal, Kaushik Hatua, Prasanta K NandiJournal of Molecular Graphics & Modelling|November 23, 2019
Investigation of structural, electronic, magnetic and half-metallic properties in ternary zinc blende CrMoO and ScMoO by GGA and GGA+U method: First principles studyIkram Un Nabi Lone, M Mohamed Sheik SirajuddeenJournal of Molecular Graphics & Modelling|December 2, 2019
Screening of FDA approved drugs for finding potential inhibitors against Granzyme B as a potent drug-repurposing targetSaima Ikram, Jamshaid Ahmad, Serdar DurdagiJournal of Molecular Graphics & Modelling|December 4, 2019
The calculation of topological structures of strands-based DNA trigonal bipyramidsHaoyu Lin, Jia Li, Shuya LiuJournal of Molecular Graphics & Modelling|February 12, 2019
Computational approach to understand molecular mechanism involved in BPH resistance in Bt- rice plantManoj Kumar Gupta, Ramakrishna Vadde, Gayatri Gouda, et al.Journal of Molecular Graphics & Modelling|November 28, 2020
Machine learning glass transition temperature of styrenic random copolymersYun Zhang, Xiaojie XuJournal of Molecular Graphics & Modelling|December 12, 2018
Interacted mechanism of functional groups in ligand targeted with folate receptor via docking, molecular dynamic and MM/PBSAYue Jiang, Cuihong Wang, Meiling Zhang, et al.Pageof 400