Had a wonderful time at BPS 2026 in San Francisco!
Feeling grateful for an energizing week of learning, conversations, and new connections within the biophysics community.
The first @PNASNews from the Ray group @uoCHandBIC! We show how multitask deep learning can be integrated with enhanced sampling simulations to identify mechanisms without a free energy surface. Kudos @Revanth_Elango and @SompriyaC for making this possible! #AIML#Compchem
I am truly humbled and honored to receive the Best Teacher Award-2025 for Excellence in Teaching 🏆. Grateful to our director, @PalakkadIIT, colleagues, and students for their support and encouragement. I dedicate this award to all my teachers who shaped my academic life.
@Saikat83041707@uoregon@uoCHandBIC@DhimanRay16 Yes it will ! In this work the ligand binding to the target (RNA) is coupled with the RNA conformational dynamics, i.e the C27 base of RNA has to flip in/out to facilitate the ligand binding/unbinding events. Using only the binding coordinate, will lead to insufficient sampling.
ANRF N-PDF calls will open on 1st June.
Feel free to write to me if you are interested in applying. Pls send your CV & a one-page summary of your graduate research to [email protected] (Experience in MD simulations, basic ML, & strong math)
Group web: https://t.co/Z4DlFjGDM9
This work with former grad student Jack Hanni is now out in @JChemPhys Michele Parrinello Festschrift special issue https://t.co/BwK2TJFq9G as a tribute to my PostDoc advisor @GroupParrinello! #compchem@uoCHandBIC
We hosted Prof. @OmarValsson this week for our PChem Seminar @uoCHandBIC . It was great listening to his work on enhanced sampling simulation and we very much enjoyed our discussion about science and academic life!
Starting now in room 33C with @DhimanRay16 our first speaker, talking about combining path sampling with biased sampling to obtain long timescale kinetics. @GiEmmePi1