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Journal of Molecular Graphics & Modelling|August 9, 2017
Effect of NaeI-L43K mutation on protein dynamics and DNA conformation: Insights from molecular dynamics simulationsSreelakshmi Ramachandrakurup, Vigneshwar Ramakrishnan
Journal of Molecular Graphics & Modelling|September 27, 2017
Application of reverse docking for target prediction of marine compounds with anti-tumor activityFangling Chen, Zhuoya Wang, Chaoyi Wang, et al.
Journal of Molecular Graphics & Modelling|September 16, 2017
Exploring the association of rs10490924 polymorphism with age-related macular degeneration: An in silico approachFarhad Jahanfar, Hamed Hamishehkar
Journal of Molecular Graphics & Modelling|September 16, 2017
Embracing chemical and structural diversity with UCONGA: A universal conformer generation and analysis programNathaniel R Gunby, Sarah L Masters, Deborah L Crittenden
Journal of Molecular Graphics & Modelling|September 17, 2017
Combined in silico approaches for the identification of novel inhibitors of human islet amyloid polypeptide (hIAPP) fibrillationPalak Patel, Krupali Parmar, Vivek K Vyas, et al.
Journal of Molecular Graphics & Modelling|August 30, 2017
A computational insight into cyclopropenone activated dehydration reaction of alcoholsM M Tataroğlu, F A Sungur
Journal 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 Ngo
Journal 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|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.
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