1.0Physics & Astronomyhttps://uwm.edu/physicsElle Cochranehttps://uwm.edu/physics/author/cochratcuwm-edu/Biophysics Talk - Professor Abhishek Singharoyrich600338<blockquote class="wp-embedded-content" data-secret="jHkNwsje6S"><a href="https://uwm.edu/physics/event/biophysics-talk-professor-abhishek-singharoy/">Biophysics Talk – Professor Abhishek Singharoy</a></blockquote><iframe sandbox="allow-scripts" security="restricted" src="https://uwm.edu/physics/event/biophysics-talk-professor-abhishek-singharoy/embed/#?secret=jHkNwsje6S" width="600" height="338" title="“Biophysics Talk – Professor Abhishek Singharoy” — Physics & Astronomy" data-secret="jHkNwsje6S" frameborder="0" marginwidth="0" marginheight="0" scrolling="no" class="wp-embedded-content"></iframe><script type="text/javascript">
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Abhishek Singharoy, Assistant Professor, Center for Applied Structural Discovery, Biodesign Institute at Arizona State University. Computing Free-Energy Landscapes from Molecular Dynamics Simulations The most probable pathways of structural transition in biomolecular complexes follow minimum free-energy pathways. Employing an implicit scheme for solving the Langevin dynamics equation, called the string method, these pathways are determined for structural transitions in molecular motors. The underlying multidimensional thermodynamic landscape is probed to determine experimentally measurable quantities such as, binding affinity, turnover rates, and energy conversion efficiencies.