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Journal of Molecular Graphics & Modelling|December 19, 2021
Exploring sodium glucose cotransporter (SGLT2) inhibitors with machine learning approach: A novel hope in anti-diabetes drug discoveryMd Moinul, Sk Abdul Amin, Prabhat Kumar, et al.Journal of Molecular Graphics & Modelling|March 19, 2019
Structure-based virtual screening for novel chymase inhibitors by in silico fragment mappingShin-Ichiro Ozawa, Miki Takahashi, Noriyuki Yamaotsu, et al.Journal of Molecular Graphics & Modelling|March 19, 2019
Understanding structures and properties of phosphorene/perovskite heterojunction toward perovskite solar cell applicationsLei Zhang, Shuai Lin, Bo Wu, et al.Journal of Molecular Graphics & Modelling|August 7, 2019
An electronic properties investigation to interpret the substituent constants of monosubstituted benzene derivativesMohammad Manassir, Ali H PakiariJournal of Molecular Graphics & Modelling|March 5, 2021
Machine learning transition temperatures from 2D structureAndrew E Sifain, Betsy M Rice, Samuel H Yalkowsky, et al.Journal of Molecular Graphics & Modelling|March 7, 2021
Interaction of Cun, Agn and Aun (n = 1-4) nanoparticles with ChCl:Urea deep eutectic solventHamid Reza Ghenaatian, Mehdi Shakourian-Fard, Ganesh KamathJournal of Molecular Graphics & Modelling|March 11, 2021
Identification of viable TCDD access pathways to human AhR PAS-B ligand binding domainMosè Casalegno, Guido Raos, Guido SelloJournal of Molecular Graphics & Modelling|March 12, 2021
Physical interactions driving the activation/inhibition of calcium/calmodulin dependent protein kinase IIEliana K Asciutto, Sergio Pantano, Ignacio J GeneralJournal of Molecular Graphics & Modelling|October 19, 2018
Structural analysis of a novel N-carbamoyl-d-amino acid amidohydrolase from a Brazilian Bradyrhizobium japonicum strain: In silico insights by molecular modelling, docking and molecular dynamicsReinaldo G Bellini, Mônika Aparecida Coronado, Alexandre Rossi Paschoal, et al.Journal of Molecular Graphics & Modelling|August 30, 2022
Theoretical investigation on hydrolysis mechanism of cis-platin analogous Pt(II)/Pd(II) complex by DFT calculation and molecular docking approach for their interaction with DNA & HSASaikat Mandal, Angana Pan, Rituparna Bhaduri, et al.Pageof 408