TCBG Seminar

Advances in Elastic Network Models and Hybrid Methods: Determining Signature Dynamics and Conformational Landscape

Professor Ivet Bahar
Computational & Systems Biology
University of Pittsburgh
Pittsburgh, PA

Monday, November 8, 2021
3:00 pm (CT)
Zoom webinar recording


Network models have proven in recent years to assist in improving our understanding of the coupled dynamics of biomolecules, from individual proteins to supramolecular systems, and even the entire chromatin, in recent years. Among network models that have been developed for biological applications, elastic network models (ENMs) found wide usage in molecular biology1. Application to supramolecular structures, including cryo-EM structures, has been a major utility of these models. More recently, ENMs proved useful in characterizing the signature dynamics of protein families,2 identifying allosteric sites,3 and in efficient sampling of conformational space.4 These recent developments and future directions will be discussed. References: 1.Krieger JM, Doruker P, Scott AL, Perahia D, Bahar I. (2020) Towards Gaining Sight of Multiscale Events: Utilizing Network Models and Normal Modes in Hybrid Methods. Curr Opin Struct Biol 64:34-41. 2.Zhang S, Li H, Krieger JM, Bahar I. (2019) Shared signature dynamics tempered by local fluctuations enables fold adaptability and specificity. Mol Biol Evol 36: 2053-2068 3.Kaynak BT,* Bahar I,* Doruker P. (2020) Essential Site Scanning Analysis: a new approach for detecting sites that modulate the dispersion of protein global motions. Comp Struct Biotech J 18:1577-1586. 4.Kaynak BT, Zhang S, Bahar I, Doruker P (2021) ClustENMD: Efficient sampling of biomolecular conformational space at atomic resolution. Bioinformatics. Jul 8;btab496, in press.


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