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Journal of Molecular Graphics & Modelling|December 9, 2020
In silico exploration of binding of selected bisphosphonate derivatives to placental alkaline phosphatase via docking and molecular dynamicsRafal Madaj, Roza Pawlowska, Arkadiusz ChworosJournal of Molecular Graphics & Modelling|December 10, 2020
Effects of oscillating electric fields on conotoxin peptide conformation: A molecular dynamic simulation studySohni Singh Jain, Abishek Suresh, Elena PirogovaJournal of Molecular Graphics & Modelling|September 12, 2022
Comparative analysis of an anthraquinone and chalcone derivatives-based virtual combinatorial library. A cheminformatics "proof-of-concept" studySaid Moshawih, Parham Hadikhani, Ayesha Fatima, et al.Journal of Molecular Graphics & Modelling|November 27, 2021
Exploiting the glycan receptor-binding site of PltB subunit in salmonella typhi toxin for novel inhibitors: An in-silico approachEphraim Felix Marondedze, Penny Poomani GovenderJournal of Molecular Graphics & Modelling|November 27, 2021
Structural anomalies in a published NMR-derived structure of IRAK-MHessel Poelman, Hans Ippel, Berke Gürkan, et al.Journal of Molecular Graphics & Modelling|January 7, 2022
Electronic and transport property of two-dimensional boron phosphide sheetRajkumar Mondal, N Bedamani Singh, Jyotirmoy Deb, et al.Journal of Molecular Graphics & Modelling|January 8, 2022
Insights from molecular dynamics simulations of albumin adsorption on hydrophilic and hydrophobic surfacesMohammad Moulod, Saeed MoghaddamJournal of Molecular Graphics & Modelling|March 16, 2021
Finding the direct energy-structure correlations in intramolecular aromaticity assisted hydrogen bonding (AAHB)Marek Lozynski, Danuta Rusinska-RoszakJournal of Molecular Graphics & Modelling|March 16, 2021
A mechanistic first-principles study on N2 reduction reaction catalyzed by Ni4 supported defective grapheneN Saeidi, M D Esrafili, J J SardroodiJournal of Molecular Graphics & Modelling|March 19, 2021
Which species does the virus like most: Binding modes study between SARS-CoV-2 S protein and ACE2 receptorSheng Guo, Jing Yang, Yu Lei, et al.Pageof 408