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.
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Revanth Elangovan
63 posts
Revanth Elangovan
@Revanth_Elango
Graduate Student - University of Oregon, | Alumnus - IIT PALAKKAD | Enhanced Sampling | Machine Learning |
Eugene,Oregon Bergabung Mart 2023
250 Mengikuti46 Pengikut
Check out our recent publication !
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pnas.org/doi/10.1073/pn…
Dhiman Ray@DhimanRay16
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
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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.
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@s_shanmugaraju @PalakkadIIT Congratulations and well deserved sir !!!
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@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.
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@Revanth_Elango @uoregon @uoCHandBIC @DhimanRay16 Congratulations! Really nice work! A naive question: If one include only binding coordinate (only funnel meta dynamics in your case), does it hamper sampling efficiency or estimated free energy for RNA systems?
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Pre print alert - Excited to share our recent work from our group titled ‘Enhanced Sampling of ligand binding coupled to RNA conformational Dynamics’.
chemrxiv.org/engage/chemrxi…
@uoregon @uoCHandBIC @DhimanRay16
#chemistry #researcharticle #RNA
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@KRITIALAM3 @uoregon @uoCHandBIC @DhimanRay16 Thank you Kriti … ! Had a great time with you and group in ACS !!
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@Revanth_Elango @uoregon @uoCHandBIC @DhimanRay16 Nice work! Congrats
Maybe relevant, doi.org/10.1021/acs.jc…
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Revanth Elangovan me-retweet
Upcoming Physical Chemistry Rotation Talks - Thursday, June 12th @ 2pm in Pacific Hall, Room 30 - tinyurl.com/mr2y9yr9
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Revanth Elangovan me-retweet
Revanth Elangovan me-retweet
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 tkarmakar@iitd.ac.in (Experience in MD simulations, basic ML, & strong math)
Group web: sites.google.com/view/tarakkchem
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Revanth Elangovan me-retweet
This work with former grad student Jack Hanni is now out in @JChemPhys Michele Parrinello Festschrift special issue doi.org/10.1063/5.0258… as a tribute to my PostDoc advisor @GroupParrinello! #compchem @uoCHandBIC
Dhiman Ray@DhimanRay16
New preprint from my group at @uoCHandBIC: "Data-Efficient Learning of Molecular Slow Modes from Nonequilibrium Metadynamics". We use short biased trajectories to learn ideal CVs for enhanced sampling simulations using Koopman reweighting and Deep-TICA: doi.org/10.26434/chemr…
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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!
UO Chem and Biochem@uoCHandBIC
TODAY! Physical Chemistry Seminar - Professor Omar Valsson, University of North Texas - April 14th @ 2pm in Tykeson 140 tinyurl.com/ucma5rca
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Upcoming Physical Chemistry Seminar - Professor Gül Zerze, University of Houston - April 21st @ 2pm, Tykeson 140 tinyurl.com/4vhb6zdh
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Revanth Elangovan me-retweet
Upcoming Physical Chemistry Seminar - Professor Omar Valsson, University of North Texas - April 14th @ 2pm in Tykeson 140 tinyurl.com/ucma5rca
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Revanth Elangovan me-retweet
Starting now in room 33C with @DhimanRay16 our first speaker, talking about combining path sampling with biased sampling to obtain long timescale kinetics. @GiEmmePi1
Barak Hirshberg@barak_hirshberg
Come to the wonderful symposium @GiEmmePi1 and I organized at the @AmerChemSociety meeting in SD. phenomenal lineup: @CHHDellago @kamerlinlab @LuigiBonati @DhimanRay16 @matteoslvlgl @SossoGroup @GroupTuckerman @limmerlab @ChengBingqing @thesiminegroup @PodewitzLab and others!
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Revanth Elangovan me-retweet
@GiEmmePi1 and I organized a symposium at the @AmerChemSociety annual meeting in San Diego, and we have a stellar list of speakers!
@CHHDellago @DhimanRay16 @LuigiBonati @GroupTuckerman @kamerlinlab @ChengBingqing @limmerlab @PilarCossio2 @glenhocky @XuhuiHuangChem @matteoslvlgl
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Some #FEP history. I presented our ethane to methanol calculations at an NSF workshop in Spring 1985 that was attended by Martin Karplus and stat mech folks. Here is a subsequent letter from him and the first page of the draft of JCP 1985, 83, 3050. I sent him the preprint.
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Excited to start teaching for the first time as a faculty! That too a brand new course designed from scratch! Many thanks to @uoCHandBIC for giving me this opportunity!
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