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Journal of Molecular Graphics & Modelling|February 16, 2015
Removal of trihalomethanes from aqueous solution through armchair carbon nanotubes: a molecular dynamics studyJafar Azamat, Alireza Khataee, Sang Woo Joo, et al.Journal of Molecular Graphics & Modelling|February 16, 2015
Comparing sixteen scoring functions for predicting biological activities of ligands for protein targetsWeijun Xu, Andrew J Lucke, David P FairlieJournal of Molecular Graphics & Modelling|August 18, 2020
The effects of mutation and modification on the structure and stability of human lysozyme: A molecular link between carbamylation and atherosclerosisHassan Monhemi, Seyedeh Samaneh TabaeeJournal of Molecular Graphics & Modelling|August 4, 2020
Polyacylated anthocyanins constructively network with catalytic dyad residues of 3CLpro of 2019-nCoV than monomeric anthocyanins: A structural-relationship activity study with 10 anthocyanins using in-silico approachesIbrahim Khalifa, Asad Nawaz, Remah Sobhy, et al.Journal of Molecular Graphics & Modelling|August 9, 2020
Topological population analysis and pairing/unpairing electron distribution evolution: Atomic B3+ cluster bending mode, a case studyRosana M Lobayan, Roberto C Bochicchio, Carlos Pérez Del ValleJournal of Molecular Graphics & Modelling|April 22, 2023
Exploring polyamine interactions and binding pockets in SARS-CoV-2 ORF3aPanisak Boonamnaj, R B Pandey, Pornthep SompornpisutJournal of Molecular Graphics & Modelling|April 23, 2023
Adsorption of sulfur on Au(111) surface: An extremely stable configurationPeng Shao, Qi-Long He, Hui Zhang, et al.Journal of Molecular Graphics & Modelling|April 28, 2023
Investigating the thermoelectric properties of the (6, 6) two sided-closed single-walled boron nitride nanotubes ((6, 6) TSC-SWBNNTs) due to the impurity of a single carbon atom and temperature changesAli Mohammad Yadollahi, Mohammad Reza Niazian, Abolfazl KhodadadiJournal of Molecular Graphics & Modelling|May 26, 2023
Synergistic modification of end groups in Quinoxaline fused core-based acceptor molecule to enhance its photovoltaic characteristics for superior organic solar cellsSonia Sadiq, Muhammad Waqas, Amna Zahoor, et al.Journal of Molecular Graphics & Modelling|July 4, 2020
Graphene-like boron carbide monolayer as an electronic and work function-type sensor for dopamine drugWenya Ding, Xiao Zhang, Yu Long Wu, et al.Pageof 400