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Journal of Molecular Graphics & Modelling|April 20, 2023
Methoxy triphenylamine hexaazatrinaphthylene based small molecules as donor material for photovoltaic applicationsShehla Gul, Muhammad Ans, Shaimaa A M Abdelmohsen, et al.
Journal of Molecular Graphics & Modelling|April 21, 2023
Computational insights into bis-N,N-dimethylaniline based D-π-A photosensitizers bearing divergent-type of π-linkers for DSSCsHarun Nalçakan, Gülbin Kurtay, Kübra Sarıkavak, et al.
Journal of Molecular Graphics & Modelling|March 29, 2021
Exploring the bioactivity of pentacyclic triterpenoids as potential antimycobacterial nutraceutics: Insights through comparative biomolecular modellingGideon F Tolufashe, Monsurat M Lawal, Krishna K Govender, et al.
Journal of Molecular Graphics & Modelling|July 31, 2020
Theoretical study of collision dynamics of fullerenes on graphenylene and porous graphene membranesRicardo Brandolt, Ricardo Paupitz
Journal of Molecular Graphics & Modelling|August 3, 2020
Performance comparison of wavelet neural network and adaptive neuro-fuzzy inference system with small data setsReza Tabaraki, Mina Khodabakhshi
Journal of Molecular Graphics & Modelling|August 3, 2020
Insights into the mechanism of inhibition of phospholipase A2 by resveratrol: An extensive molecular dynamics simulation and binding free energy calculationSajedeh Sharifpour, Sara Fakhraee, Reza Behjatmanesh-Ardakani
Journal of Molecular Graphics & Modelling|August 3, 2020
Ontology based conceptual models for predicting fundamental organic reactivityK Umavathy, P Sankar
Journal of Molecular Graphics & Modelling|August 3, 2020
Prioritizing potential ACE2 inhibitors in the COVID-19 pandemic: Insights from a molecular mechanics-assisted structure-based virtual screening experimentKerem Teralı, Buket Baddal, Hayrettin Ozan Gülcan
Journal of Molecular Graphics & Modelling|March 14, 2015
Complete atomistic model of a bacterial cytoplasm for integrating physics, biochemistry, and systems biologyMichael Feig, Ryuhei Harada, Takaharu Mori, et al.
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