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Journal of Molecular Graphics & Modelling|November 2, 2019
A DFT study on reaction force approach of ammonia catalysed amide bond formation reaction between ammonia and formic acidN V Suresh KumarJournal of Molecular Graphics & Modelling|November 5, 2019
Tuning optoelectronic properties of triphenylamine based dyes through variation of pi-conjugated units and anchoring groups: A DFT/TD-DFT investigationGeradius Deogratias, Nicola Seriani, Tatiana Pogrebnaya, et al.Journal of Molecular Graphics & Modelling|December 3, 2019
Qualitative as well as quantitative analysis of interactions present in chlorine and bromine substituted aromatic organic crystals: A DFT linked Crystal Explorer studyMayank Khera, Neetu GoelJournal of Molecular Graphics & Modelling|February 12, 2020
Potential tripeptides against the tyrosine kinase domain of human epidermal growth factor receptor (HER) 2 through computational and kinase assay approachesSupaphorn Seetaha, Bundit Boonyarit, Sissades Tongsima, et al.Journal of Molecular Graphics & Modelling|January 11, 2020
Ultrasonic waves effect on S-shaped β-amyloids conformational dynamics by non-equilibrium molecular dynamicsMarcello Miceli, Stefano Muscat, Umberto Morbiducci, et al.Journal of Molecular Graphics & Modelling|February 1, 2020
Planarity does not always mean higher aromaticity - Intriguing metalloaromaticity of three Al13+ isomersSurajit Guin, Sourav Ranjan Ghosh, Atish Dipankar JanaJournal of Molecular Graphics & Modelling|February 2, 2020
Theoretical study of electronic transport through P-porphyrin and S-porphyrin nanoribbonsRajkumar Mondal, Barnali Bhattacharya, N Bedamani Singh, et al.Journal of Molecular Graphics & Modelling|February 5, 2019
Molecular dynamic investigate the affection of EGFR by TubemosideXia Du, Zhi-Yong Chen, Dong Guo, et al.Journal of Molecular Graphics & Modelling|January 21, 2019
Adsorption and diffusion of sulfur dioxide and nitrogen in single-wall carbon nanotubesZhiming Hu, Hui Xie, Qin Wang, et al.Journal of Molecular Graphics & Modelling|January 21, 2019
Conformational dynamics of Ribonuclease Sa and its S48P mutant: Implications for the stability of the mutant proteinShubhangi Gupta, Yellamraju U SasidharPageof 400