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Journal of Molecular Graphics & Modelling|December 11, 2019
In silico repositioning of etidronate as a potential inhibitor of the Trypanosoma cruzi enolaseEdward A Valera-Vera, Melisa Sayé, Chantal Reigada, et al.
Journal of Molecular Graphics & Modelling|November 12, 2020
Robust design of D-π-A model compounds using digital structures for organic DSSC applicationsFeng Wang, Steven Langford, Hiromi Nakai
Journal of Molecular Graphics & Modelling|November 22, 2017
Temperature-dependent conformational dynamics of cytochrome c: Implications in apoptosisGurusamy Muneeswaran, Subramanian Kartheeswaran, Kaliappan Muthukumar, et al.
Journal of Molecular Graphics & Modelling|February 11, 2018
Eurecon: Equidistant uniform rigid-body ensemble constructorP Popov, S Grudinin
Journal of Molecular Graphics & Modelling|January 28, 2020
Elucidating the preference of dimeric over monomeric form for thermal stability of Thermus thermophilus isopropylmalate dehydrogenase: A molecular dynamics perspectiveReetu Sharma, Someswar Rao Sagurthi, G Narahari Sastry
Journal of Molecular Graphics & Modelling|January 29, 2020
Evaluation of consensus scoring methods for AutoDock Vina, smina and idockLily Masters, Scott Eagon, Michael Heying
Journal of Molecular Graphics & Modelling|July 8, 2014
Structure-based drug design of small molecule SIRT1 modulators to treat cancer and metabolic disordersVenkat Koushik Pulla, Mallika Alvala, Dinavahi Saketh Sriram, et al.
Journal of Molecular Graphics & Modelling|August 23, 2014
Hydrogen-bond-directed-linking solving transparence-efficiency tradeoff in nonlinear optical moleculeFang Ma, Dong-Sheng Bai, Hong-Liang Xu
Journal of Molecular Graphics & Modelling|September 2, 2020
Molecular dynamics study of the effect of alloying elements and imperfections on linear friction welding of Cu and Ni metalsM Khodakarami, A Farzadi, A Ramazani
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