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Journal of Molecular Graphics & Modelling|February 1, 2019
Discovery of novel Flt3 inhibitory chemotypes through extensive ligand-based and new structure-based pharmacophore modelling methodsReem Fawaz Abutayeh, Mutasem O TahaJournal of Molecular Graphics & Modelling|December 31, 2018
Protein G selects two binding sites for carbon nanotube with dissimilar behavior; a molecular dynamics studyMohammad-Bagher Ebrahim-Habibi, Maryam Ghobeh, Farzaneh Aghakhani Mahyari, et al.Journal of Molecular Graphics & Modelling|December 4, 2018
Effects of hydrophobic and hydrogen-bond interactions on the binding affinity of antifreeze proteins to specific ice planesHwankyu LeeJournal of Molecular Graphics & Modelling|September 24, 2020
Permeation of second row neutral elements through Al12P12 and B12P12 nanocages; a first-principles studySaira Sajjad, Muhammad Ali Hashmi, Tariq Mahmood, et al.Journal of Molecular Graphics & Modelling|September 26, 2020
Computational insights into the binding mode of curcumin analogues against EP300 HAT domain as potent acetyltransferase inhibitorsShivananda Kandagalla, Sharath Belenahalli Shekarappa, Hrvoje Rimac, et al.Journal of Molecular Graphics & Modelling|March 21, 2020
Structural insights into the potential changes in receptor binding site found in the 1998-2018 influenza B/Yamagata hemagglutinin: A putative correlation between receptor binding site structural variability and seasonal infectionMarni E Cueno, Kanako Iguchi, Kanta Suemitsu, et al.Journal of Molecular Graphics & Modelling|September 10, 2020
A DFT-based finite element approach for studying elastic properties, buckling and vibration of the arseneneP Aghdasi, R Ansari, S Rouhi, et al.Journal of Molecular Graphics & Modelling|September 14, 2020
Prediction of critical properties of sulfur-containing compounds: New QSPR modelsZahra Ghomisheh, Ali Ebrahimpoor Gorji, Mohammad Amin SobatiJournal of Molecular Graphics & Modelling|September 13, 2020
In silico characterisation of olive phenolic compounds as potential cyclooxygenase modulators. Part 2Julia Liang, Natalie P Bonvino, Andrew Hung, et al.Journal of Molecular Graphics & Modelling|September 13, 2020
Targeting the SARS-CoV-2 main protease using FDA-approved Isavuconazonium, a P2-P3 α-ketoamide derivative and Pentagastrin: An in-silico drug discovery approachIkechukwu Achilonu, Emmanuel Amarachi Iwuchukwu, Okechinyere Juliet Achilonu, et al.Pageof 408