Deep Learning of extensive Gaussian accelerated MD simulations revealed dynamic “Conformational Selection” mechanism for GPCR allostery, facilitating rational allosteric drug design of GPCRs.
Learn more 👉 https://t.co/f4S3NP0qLM
@hungd238@jinan_wang@yinglongmiao@lab_miao
Looking for two highly motivated postdocs to work on accelerated molecular simulations and AI-driven drug discovery. Please feel free to submit application to one of the following postings & retweet:
https://t.co/Icq0INjyIg
https://t.co/ceHpMLISVb
Greatly appreciated if you can please vote for our story - “Best Use of HPC in Life Sciences” :)
https://t.co/F450B2lXDS
University of Kansas researchers who study Familial Alzheimer’s Disease (FAD) ...
@lab_miao: Extremely excited for moving to @CompMedUNC and @UNC_PHCO. We are "UP" to explore the beautiful new place and wonderful research opportunities here!
Congratulations @jinan_wang and @hungd238 in @lab_miao for a nice publication ! Thanks to Xin-Yun Huang lab @WeillCornell for the wonderful collaboration !
https://t.co/LQbRmzVNjJ
https://t.co/Hy39BrGpuw
Belated Congrats to @hungd238 for a very promising method @DeepLearningAI +Enhanced Sampling!
Deep Boosted Molecular Dynamics: Accelerating Molecular Simulations with Gaussian Boost Potentials Generated Using Probabilistic Bayesian Deep Neural Network https://t.co/tWfSZpAOLh
.@hungd238 & @yinglongmiao developed a new Deep Boosted Molecular Dynamics (DBMD) method using probabilistic Bayesian neural network to generate Gaussian boost potentials. DBMD efficiently captured folding & unfolding of proteins & RNAs!
https://t.co/I1HEOnZ7vh
When people tell me, it’s the paper that maters, not the journal, I wish that were true for me!Unfortunately, a lot of scientists (and many whose work I admire) are influenced by status. I work at a not particularly high-status university and
Congratulations @hungd238 Dr. DO for very impressive PhD defense, with 7 first-authored publications and more! A great balance between method developments and advanced application studies 🎇🎇🎇
Congrats @jinan_wang@ApurbaBhattara4 for an excellent muscarinic GPCR study, beautiful agreement between simulations & experiments! Thanks to @Thal_DM, Celine Valant, Prof. Arthur Christopoulos and the entire research team for wonderful collaboration!!
https://t.co/RTT3ZDooNF
Thanks to ACCESS for highlighting our collaborative work between @lab_miao and @lab_wolfe !
Computational Biology Studies Move Researchers Closer to Treating Rare Form of Alzheimer’s Disease https://t.co/7aqOxu2qn6
Cool things in binding kinetics this week! #compchem
The review from @yinglongmiao@JCIM_JCTC about prediction of binding kinetics, with a very useful table with different databases containing kinetic rates:
https://t.co/9x8FQJydNz
First time attending #ADPD2023 conference in beautiful @goteborgcom, and very excited to present our recent work on effects of FAD mutations in gamma-secretase, mainly done by @hungd238 in great collaboration with @lab_wolfe !
A #BehindthePaper post from @hungd238 & @yinglongmiao explores their recent publication on how Presenilin-1 familial #Alzheimers disease mutations affect the structural dynamics & interactions between γ-secretase and APP 🧬🧠
https://t.co/9ttywQKGyG
Effects of presenilin-1 familial Alzheimer’s disease mutations on γ-secretase activation for cleavage of amyloid precursor protein https://t.co/7CF43FAUZG #NeuroscienceCommunity