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Journal of Molecular Graphics & Modelling|October 3, 2024
Modification of MM force fields around heme-Fe in the CYP-ligand complex and ab initio FMO calculations for the complexYoshinobu Nagura, Haruna Sabishiro, Nagomi Chimura, et al.Journal of Molecular Graphics & Modelling|October 6, 2024
Bjerrum defects in s-II gas hydrateNevin Uras-Aytemiz, F Mine BalcıJournal of Molecular Graphics & Modelling|September 24, 2024
Oxoanion complexation of nitroisophthalamide receptors: Insights from the DFT calculationsThanawat Somtua, Wandee Rakrai, Chanukorn Tabtimsai, et al.Journal of Molecular Graphics & Modelling|September 24, 2024
Virtual screening, molecular docking, and molecular dynamics simulation studies on the hypoglycemic function of oat peptidesZhongfu Tan, Jiayang Song, Ting ZhangJournal of Molecular Graphics & Modelling|September 25, 2024
Investigation of solvent extraction of acetic acid and acetone from water in the presence of SiO2 nanoparticles using molecular dynamics simulationHojatollah Moradi, Hossein Bahmanyar, Hedayat AzizpourJournal of Molecular Graphics & Modelling|September 14, 2024
Molecular dynamics simulation study of graphene synthesis by rotating arc plasmaChuanhao Dong, Minglin Li, Yanyi Huang, et al.Journal of Molecular Graphics & Modelling|February 28, 2025
Exploring topological indices and entropy measures of phenylacetone monooxygenase by using Python codingRashad Ismail, Rimsha Noreen, Muhammad Farhan Hanif, et al.Journal of Molecular Graphics & Modelling|February 21, 2025
Efficiency of QM/MM optimization and fragment molecular orbital calculations for investigating interactions between zinc metalloprotease and its inhibitorsHaruna Sabishiro, Yoshinobu Nagura, Nagomi Chimura, et al.Journal of Molecular Graphics & Modelling|August 3, 2024
Structure based computational RNA design towards MafA transcriptional repressor implicated in multiple myelomaGüneş Yıldırım Akdeniz, Ahmet Can TimuçinJournal of Molecular Graphics & Modelling|August 11, 2024
In vitro and in silico studies of the inclusion complexation of 8-bromobaicalein with β-cyclodextrinsNoriyuki Yasuda, Saba Ali, Aamir Aman, et al.Pageof 408