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Journal of Molecular Graphics & Modelling|December 31, 2022
The effect of various partial atomic charges on the bulk and liquid/vacuum interface properties of iodobenzene derivatives at their melting pointsElham Sookhaki, Amin Reza Zolghadr, Mansoor NamazianJournal of Molecular Graphics & Modelling|June 8, 2022
Study on regulation effect of external electric field on energetic material 1-methyl-2,4,5-TrinitroimidazoleXiaosong Xu, Renfa Zhang, Wenxin Xia, et al.Journal of Molecular Graphics & Modelling|December 1, 2022
Host-guest complexation of cucurbit[7]uril and cucurbit[8]uril with the antimuscarinic drugs tropicamide and atropineValya Nikolova, Stefan Dobrev, Nikoleta Kircheva, et al.Journal of Molecular Graphics & Modelling|June 24, 2022
Thermal rectification in polytelescopic Ge nanowiresFatemeh Molaei, Omid Farzadian, Maryam Zarghami Dehaghani, et al.Journal of Molecular Graphics & Modelling|November 24, 2022
Adsorption free energy of phenol onto coronene: Solvent and temperature effectsAlhadji Malloum, Jeanet ConradieJournal of Molecular Graphics & Modelling|July 9, 2022
Improvement of thermal conductivity in carbon doped BNNTs by electric fieldRaad Chegel, Somayeh BehzadJournal of Molecular Graphics & Modelling|July 12, 2022
Exploring the multiple conformational states of RNA genome through interhelical dynamics and network analysisOmkar Singh, Pushyaraga P Venugopal, Apoorva Mathur, et al.Journal of Molecular Graphics & Modelling|May 20, 2019
Paclitaxel interaction with cucurbit [7]uril and acyclic Cucurbit[4]uril nanocontainers: A computational approachNasim Ahmadian, Mehriar Amininasab, Faramarz MehrnejadJournal of Molecular Graphics & Modelling|May 22, 2019
Cyclophosphamide and isophosphamide - DFT conformational studies in the gas phase and solutionJustyna Wielińska, Justyna Bednarko, Henryk Myszka, et al.Journal of Molecular Graphics & Modelling|May 22, 2019
Systematic profiling of SH3-mediated Tau-Partner interaction network in Alzheimer's disease by integrating in silico analysis and in vitro assayXiaoming Wang, Chunyan Chang, Dongxue Wang, et al.Pageof 407