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Journal of Molecular Graphics & Modelling|May 6, 2017
Structural comparison, docking and substrate interaction study of modeled endo-1, 4-beta xylanase enzyme of Bacillus brevisNidhi Mathur, Girish K Goswami, Amerendra Nath PathakJournal of Molecular Graphics & Modelling|May 2, 2017
Internal abstraction of dynemicin A: An MD approachAngus Beane, Bill R Miller, Carol A ParishJournal of Molecular Graphics & Modelling|May 25, 2018
In silico insight into voltage-gated sodium channel 1.7 inhibition for anti-pain drug discoveryMingxing Wang, Wei Li, Ying Wang, et al.Journal of Molecular Graphics & Modelling|July 10, 2017
Density functional theory study of adsorption geometries and electronic structures of azo-dye-based molecules on anatase TiO2 surface for dye-sensitized solar cell applicationsPongthep Prajongtat, Songwut Suramitr, Somkiat Nokbin, et al.Journal of Molecular Graphics & Modelling|May 7, 2018
Interaction of monomeric Ebola VP40 protein with a plasma membrane: A coarse-grained molecular dynamics (CGMD) simulation studyMohamad Ariff Mohamad Yusoff, Azzmer Azzar Abdul Hamid, Noraslinda Mohammad Bunori, et al.Journal of Molecular Graphics & Modelling|September 1, 2016
Simulations reveal increased fluctuations in estrogen receptor-alpha conformation upon antagonist bindingHo Leung NgJournal of Molecular Graphics & Modelling|September 18, 2016
Integration of ligand and structure based approaches for identification of novel MbtI inhibitors in Mycobacterium tuberculosis and molecular dynamics simulation studiesLakshmi Maganti, Pradeep Grandhi, Nanda GhoshalJournal of Molecular Graphics & Modelling|September 19, 2016
H-bond and dipole-dipole interactions between water and COO functional group in methyl benzoate derivatives: Substituent and heteroatom effectsS Sarhadinia, A EbrahimiJournal of Molecular Graphics & Modelling|September 21, 2016
Structural and dynamic insights into the C-terminal extension of cysteine proteinase B from Leishmania amazonensisDeborah Antunes Santos, Mauricio Garcia de Souza Costa, Carlos Roberto Alves, et al.Journal of Molecular Graphics & Modelling|September 27, 2016
A mechanistic approach to explore novel HDAC1 inhibitor using pharmacophore modeling, 3D- QSAR analysis, molecular docking, density functional and molecular dynamics simulation studySanjay K Choubey, Jeyakanthan JeyaramanPageof 406