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Journal of Molecular Graphics & Modelling|February 9, 2023
Role of hinge motion and ATP dynamics in factors for inversion stimulation FIS protein deduced while targeting drug resistant Orientia tsutsugamushiNousheen Parvaiz, Maham Shahbaz, Syed Sikander AzamJournal of Molecular Graphics & Modelling|February 2, 2023
Investigation on electrochemical performance of striped, β12 and χ3 Borophene as anode materials for lithium-ion batteriesSina Karimzadeh, Babak Safaei, Tien-Chien JenJournal of Molecular Graphics & Modelling|January 27, 2023
Quantum Mechanical Elucidation on [3+2] cycloaddition reaction of aryl nitrile oxide with cyclopentenonesHarun Abdullah, Ahmed Yusif Abdulai, Richard Tia, et al.Journal of Molecular Graphics & Modelling|January 27, 2023
Mononuclear half-sandwich nd7 metallo drug complexes based on bidentate N∩N dendritic scaffolds: DFT (B3LYP; BP86 and B3PW91) examinationNdika Ngomb Simon Claude, Moto Ongagna Jean, Adjieufack Abel Idrice, et al.Journal of Molecular Graphics & Modelling|February 25, 2023
Application of computational methods for class A GPCR Ligand discoveryGregory L Szwabowski, Daniel L Baker, Abby L ParrillJournal of Molecular Graphics & Modelling|February 22, 2023
Binding and selectivity studies of phosphatidylinositol 3-kinase (PI3K) inhibitorsMohammad Al Hasan, Matthew Sabirianov, Grace Redwine, et al.Journal of Molecular Graphics & Modelling|February 17, 2026
Uniqueness of CETP in transferring neutral lipids: A comparative study on lipid-carrying/binding proteinsPrasanna D Revanasiddappa, Sanjib Senapati, Bharathi ManjunathJournal of Molecular Graphics & Modelling|February 12, 2026
In silico assessment of benzyl C-analogues of dapagliflozin as potential SGLT2 inhibitors for type 2 diabetesMwashi F Misungwi, Geradius Deogratias, Lucas Kwiyukwa, et al.Journal of Molecular Graphics & Modelling|March 4, 2025
DFT investigation of geometrical, vibrational, elastic, electronic, optical, and thermoelectric properties of aluminum pnictogens compoundsPankaj Kumar, Debesh R RoyJournal of Molecular Graphics & Modelling|February 28, 2025
DeepTree-AAPred: Binary tree-based deep learning model for anti-angiogenic peptides predictionFan Zhang, Jinfeng Li, Chun FangPageof 400