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Journal of Molecular Graphics & Modelling|August 30, 2017
A computational insight into cyclopropenone activated dehydration reaction of alcoholsM M Tataroğlu, F A SungurJournal of Molecular Graphics & Modelling|August 31, 2017
Evaluation of the absolute affinity of neuraminidase inhibitor using steered molecular dynamics simulationsNguyen Minh Tam, Minh Tho Nguyen, Son Tung NgoJournal of Molecular Graphics & Modelling|August 1, 2017
Binding free energy calculations using MMPB/GBSA approaches for PAMAM-G4-drug complexes at neutral, basic and acid pH conditionsAlberto Martínez-Muñoz, Martiniano Bello, Aurelio Romero-Castro, et al.Journal of Molecular Graphics & Modelling|August 2, 2017
Prediction of lysine propionylation sites using biased SVM and incorporating four different sequence features into Chou's PseAACZhe Ju, Jian-Jun HeJournal of Molecular Graphics & Modelling|July 9, 2016
Molecular dynamics at the receptor level of immunodominant myelin oligodendrocyte glycoprotein 35-55 epitope implicated in multiple sclerosisMary Patricia Yannakakis, Haralambos Tzoupis, Elena Michailidou, et al.Journal of Molecular Graphics & Modelling|July 9, 2016
Tuning the push-pull configuration for efficient second-order nonlinear optical properties in some chalcone derivativesShabbir Muhammad, Abdullah G Al-Sehemi, Ahmad Irfan, et al.Journal of Molecular Graphics & Modelling|June 17, 2016
Arylhydrazone derivatives of naproxen as new analgesic and anti-inflammatory agents: Design, synthesis and molecular docking studiesHoma Azizian, Zahra Mousavi, Hamidreza Faraji, et al.Journal of Molecular Graphics & Modelling|September 8, 2017
Investigating detailed interactions between novel PAR1 antagonist F16357 and the receptor using docking and molecular dynamic simulationsCarolyn Readmond, Chun WuJournal of Molecular Graphics & Modelling|September 9, 2017
Prediction of lysine crotonylation sites by incorporating the composition of k-spaced amino acid pairs into Chou's general PseAACZhe Ju, Jian-Jun HeJournal of Molecular Graphics & Modelling|September 13, 2017
Catalytic activation of O2 molecule by transition metal atoms deposited on the outer surface of BN nanoclusterAkbar OmidvarPageof 407