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Journal of Biomolecular Structure & Dynamics|May 9, 2022
Plant-derived active compounds as a potential nucleocapsid protein inhibitor of SARS-CoV-2: an in-silico studyDharmendra Kashyap, Rajarshi Roy, Parimal Kar, et al.Journal of Biomolecular Structure & Dynamics|May 9, 2022
Molecular dynamic simulations based discovery and development of thiazolidin-4-one derivatives as EGFR inhibitors targeting resistance in non-small cell lung cancer (NSCLC)Kshipra S Karnik, Aniket P Sarkate, Deepak K Lokwani, et al.Journal of Biomolecular Structure & Dynamics|May 9, 2022
Design, synthesis, in vitro and in silico bioactivity profiles of new urea/thiourea derivatives of 2-pyridyl piperazine as potent antioxidant and antimicrobial agents: chemo-bio-computational approachS Sumalatha, Ch Venkataramaiah, C Naga RajuJournal of Biomolecular Structure & Dynamics|January 20, 2018
Allostery in Orai1 binding to calmodulin revealed from conformational thermodynamicsLakshmi Maganti, Sutapa Dutta, Mahua Ghosh, et al.Journal of Biomolecular Structure & Dynamics|January 10, 2018
Conserved cysteine variants of metagenomic derived polygalacturonase concurrently shift its optima at acidic pH and enhanced thermostability: structural and functional analysisRajvinder Singh, Arbind Kumar, Nisha Chopra, et al.Journal of Biomolecular Structure & Dynamics|December 6, 2018
Evaluation of maltose on conformation and activity parameters of trypsinMina Rajabi, Behzad Shareghi, Sadegh Farhadian, et al.Journal of Biomolecular Structure & Dynamics|December 6, 2018
Study on the interaction of amprolium HCl and dinitolmide in animal-derived food products with BSA by multiple spectroscopies and molecular modeling techniquesXiao-Yue Sun, Shu-Yun Bi, Jun Wu, et al.Journal of Biomolecular Structure & Dynamics|December 7, 2018
Comparing protein structures and inferring functions with a novel three-dimensional Yau-Hausdorff methodKun Tian, Xin Zhao, Yuning Zhang, et al.Journal of Biomolecular Structure & Dynamics|December 12, 2018
Molecular dynamics simulation on the effect of transition metal binding to the N-terminal fragment of amyloid-βMatthew Turner, Shaun T Mutter, James A PlattsJournal of Biomolecular Structure & Dynamics|December 12, 2018
The design of potent HIV-1 integrase inhibitors by a combined approach of structure-based virtual screening and molecular dynamics simulationAugustine S Samorlu, Kemal Yelekçi, Abdullahi Ibrahim UbaPageof 931