In our new bioRxiv, we show the mechanism of transport of a Na+/Ca2+ exchanger (including new predicted conformations), using enhanced sampling simulations. Results are validated with accessibility data and ensemble reweighing with #HDXMS data. biorxiv.org/content/10.110…

Interested in rigorous calculation of multidimensional free energy landscapes from enhanced sampling simulations? Check my recent recent method (doi.org/10.1021/acs.jc…) based on mean forces. Associated code, manual and tutorial can be downloaded at github.com/FCAM-NIH/FCAM

16h 46mins on the clock before our co-sponsored coffee hour in PH 6th floor! See you there PharmSci_Maryland!! Let's kick off Biophysics Week together!! Biophysical Society

Thank you for joining us at our methods in #Biophysics speaker series #Biophysicsweek event last Friday! Thank you again to our speakers- we heard from Drs. Fabrizio Marinelli and Wenbo Yu! Here's are few pictures from the event! PharmSci_Maryland University of Maryland School of Pharmacy Biophysical Society

Dr. Fabrizio Marinelli shared with us a story about the use of atomic simulations and HDX-guided ensemble reweighing in the elucidation of the mechanism of action for a secondary active transporter of sodium and calcium ions.

Thank you UMB Biophysics Student Chapter, Juliet Obi ,Aarion Romany for organizing the #Biophysicsweek event of last Friday and inviting me to give a talk. It was a pleasure to be there and meeting you, The Deredge Lab and Alexander MacKerell

I am happy to have a fantastic person, scientist & mentor visiting this week: Alessandro Laio in DC!

Check out our newest article in PNAS (doi.org/10.1073/pnas.2…)—high-end atomistic simulations (experimentally validated) unveil the full transport cycle (including unknown structures) of a homolog of the cardiac Na+/Ca2+ exchanger—a membrane protein implicated in heart disease