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Journal of Molecular Graphics & Modelling|February 4, 2019
Hydration of l-glycylvaline and l-glycylvalylglycine zwitterions: Structural and vibrational studies using DFT methodStève-Jonathan Koyambo-Konzapa, Zoubeida Dhaouadi, Mama Nsangou
Journal of Molecular Graphics & Modelling|December 28, 2019
Molecular modeling assisted identification and biological evaluation of potent cathepsin S inhibitorsSabahuddin Ahmad, Sudha Bhagwati, Sushil Kumar, et al.
Journal of Molecular Graphics & Modelling|December 28, 2019
Theoretical study on prismatic (N6)n (n=16-35) moleculesQian Guo, Bing He, Hongwei Zhou
Journal of Molecular Graphics & Modelling|March 13, 2018
In silico investigation of the molecular effects caused by R123H variant in secretory phospholipase A2-IIA associated with ARDSBenedetta Righino, Angelo Minucci, Davide Pirolli, et al.
Journal of Molecular Graphics & Modelling|March 20, 2018
Theoretical study on the interactions between chlordecone hydrate and acidic surface groups of activated carbon under basic pH conditionsKenia Melchor-Rodríguez, Juan José Gamboa-Carballo, Anthuan Ferino-Pérez, et al.
Journal of Molecular Graphics & Modelling|February 18, 2018
Ligand-based computer aided drug design reveals new tropomycin receptor kinase a (TrkA) inhibitorsRand Shahin, Iman Mansi, Lubna Swellmeen, et al.
Journal of Molecular Graphics & Modelling|February 20, 2018
Ligand-based modeling of Akt3 lead to potent dual Akt1/Akt3 inhibitorMahmoud A Al-Sha'er, Mutasem O Taha
Journal of Molecular Graphics & Modelling|February 13, 2018
Proposal of potent inhibitors for vitamin-D receptor based on ab initio fragment molecular orbital calculationsRyosuke Takeda, Ittetsu Kobayashi, Rie Suzuki, et al.
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