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Journal of Molecular Modeling|July 19, 2022
Study of protease-mediated processes initiating viral infection and cell-cell viral spreading of SARS-CoV-2Thanawat Thaingtamtanha, Stephan A BaeurleJournal of Molecular Modeling|July 19, 2022
Synthesis, characterization, and thermal and computational investigations of the L-histidine bis(fluoride) crystalIan Felipe Sousa Reis, Jailton Romão Viana, João Gomes de Oliveira Neto, et al.Journal of Molecular Modeling|July 20, 2022
DFT study of common anions adsorption at graphene surface due to anion-π interactionFan Xiaozhen, Liu Xing, He Zhenglin, et al.Journal of Molecular Modeling|April 24, 2022
Probing the competitive inhibitor efficacy of frog-skin alpha helical AMPs identified against ACE2 binding to SARS-CoV-2 S1 spike protein as therapeutic scaffold to prevent COVID-19P Chandra Sekar, E Srinivasan, G Chandrasekhar, et al.Journal of Molecular Modeling|April 26, 2022
Modeling of molecular ternary logic gates and circuits based on diode structuresSaleh Safapour, Reza Sabbaghi-Nadooshan, Farhad Razaghian, et al.Journal of Molecular Modeling|July 13, 2022
Computational investigation by ab initio methods of the spectroscopic characteristics of hafnium monosulfideJean Tabet, Fadia Taher, Ziad AdemJournal of Molecular Modeling|July 14, 2022
Mechanical properties and electronic structure of Cu-doped tin: a first-principle studyYuyuan Fan, Dong Xie, Duo You, et al.Journal of Molecular Modeling|June 19, 2019
A deep insight into the polystyrene chain in cyclohexane at theta temperature: molecular dynamics simulation and quantum chemical calculationsSajad Rasouli, Mohammad Reza Moghbeli, Sousa Javan NikkhahJournal of Molecular Modeling|June 16, 2019
Why are rhodanines less efficient reagents in Diels-Alder reactions than isorhodanines? A quantum chemical studyWaldemar Tejchman, Michal Michalski, Krzysztof K Zborowski, et al.Journal of Molecular Modeling|July 3, 2019
Experimental and molecular modeling study of a novel arylsulfonamide chalconeVitor S Duarte, Giulio D C D'Oliveira, Jean M F Custodio, et al.Pageof 694