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Journal of Biomolecular Structure & Dynamics|September 6, 2016
Effect of natural polymorphism on structure and function of the Yersinia pestis outer membrane porin F (OmpF protein): a computational studyHiba Shaban, Insing Na, Angelina A Kislichkina, et al.Journal of Biomolecular Structure & Dynamics|September 10, 2016
Conformational changes associated with L16P and T118M mutations in the membrane-embedded PMP22 protein, consequential in CMT-1AMartiniano Bello, Mixtli J Torres, Alfonso Méndez-Tenorio, et al.Journal of Biomolecular Structure & Dynamics|May 10, 2017
3D-QSAR, molecular docking, and molecular dynamic simulations for prediction of new Hsp90 inhibitors based on isoxazole scaffoldMaryam Abbasi, Hojjat Sadeghi-Aliabadi, Massoud AmanlouJournal of Biomolecular Structure & Dynamics|April 28, 2017
Human EGF-derived direct and reverse short linear motifs: conformational dynamics insight into the receptor-binding residuesNurbubu T Moldogazieva, Konstantin V Shaitan, Mikhail Yu Antonov, et al.Journal of Biomolecular Structure & Dynamics|May 12, 2017
Sodium louroyl sarcosinate (sarkosyl) modulate amyloid fibril formation in hen egg white lysozyme (HEWL) at alkaline pH: a molecular insight studyJaved Masood Khan, Mohd Shahnawaz Khan, Mohammad Abdulrahman Alsenaidy, et al.Journal of Biomolecular Structure & Dynamics|May 16, 2017
Molecular dynamic modeling of CYP51B in complex with azole inhibitorsPan Gao, Ying-Lu Cui, Rong-Ling WuJournal of Biomolecular Structure & Dynamics|June 3, 2017
Insights into unbound-bound states of GPR142 receptor in a membrane-aqueous system using molecular dynamics simulationsAman Chandra Kaushik, Shakti SahiJournal of Biomolecular Structure & Dynamics|June 3, 2017
NSAIDs as potential treatment option for preventing amyloid β toxicity in Alzheimer's disease: an investigation by docking, molecular dynamics, and DFT studiesFaizul Azam, Nada Hussin Alabdullah, Hadeel Mohammed Ehmedat, et al.Journal of Biomolecular Structure & Dynamics|June 27, 2017
Computational investigation on the effects of H50Q and G51D mutations on the α-Synuclein aggregation propensityAiry Sanjeev, Venkata Satish Kumar MattaparthiJournal of Biomolecular Structure & Dynamics|April 11, 2018
Molecular dynamics simulation and binding free energy studies of novel leads belonging to the benzofuran class inhibitors of Mycobacterium tuberculosis Polyketide Synthase 13Jorddy N Cruz, José F S Costa, André S Khayat, et al.Pageof 931