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Journal of Molecular Graphics & Modelling|September 19, 2018
Simulations on methane uptake in tunable pillared porous graphene hybrid architecturesHao Jiang, Xin-Lu ChengJournal of Molecular Graphics & Modelling|September 19, 2018
Concentration dependent adsorption of aromatic organic compounds by SWCNTs: Quantum-mechanical descriptors for nano-toxicological studies of biomolecules and agrochemicalsSuman Lata, VikasJournal of Molecular Graphics & Modelling|September 19, 2018
The variation of mitochondrial NADH dehydrogenase subunit 4 (mtND4) and molecular dynamics simulation of SNPs among Iranian women with breast cancerParastoo Arezi, Zahra RezvaniJournal of Molecular Graphics & Modelling|July 3, 2019
Density Functional Theory and UPLC/MS/ESI+ studies of the zwitterionic surfactant-Na+ pair formationDavid-Aaron Nieto-Alvarez, José-Manuel Martínez-Magadán, Ricardo Cerón-Camacho, et al.Journal of Molecular Graphics & Modelling|September 26, 2018
Identification and analyses of natural compounds as potential inhibitors of TRAF6-Basigin interactions in melanoma using structure-based virtual screening and molecular dynamics simulationsRia Biswas, Nilkanta Chowdhury, Ranjita Mukherjee, et al.Journal of Molecular Graphics & Modelling|April 21, 2018
Allosteric ligands for the pharmacologically important Flavivirus target (NS5) from ZINC database based on pharmacophoric points, free energy calculations and dynamics correlationAbbas Khan, Shoaib Saleem, Muhammad Idrees, et al.Journal of Molecular Graphics & Modelling|June 29, 2017
EGCG inhibits the oligomerization of amyloid beta (16-22) hexamer: Theoretical studiesSon Tung Ngo, Duc Toan Truong, Nguyen Minh Tam, et al.Journal of Molecular Graphics & Modelling|April 14, 2023
Prediction of KRASG12C inhibitors using conjoint fingerprint and machine learning-based QSAR modelsTarapong Srisongkram, Patcharapa Khamtang, Natthida WeerapreeyakulJournal of Molecular Graphics & Modelling|April 10, 2023
Methylammonium lead triiodide perovskite-based solar cells efficiency: Insight from experimental and simulationSarra Bouazizi, Amal Bouich, Wahiba Tlili, et al.Journal of Molecular Graphics & Modelling|April 25, 2023
Anthracene-bridged sensitizers for environmentally compatible dye-sensitized solar cells: In silico modelling and predictionFakhar Islam, Ahsan Waqas, Shabir Khan, et al.Pageof 408