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we are looking for a #compchem postdoc to work on an NIH funded project to characterize BET proteins, the complexes it forms, and identifying new viral and host PPIs. Someone with expertise in MD, python, ML, and a passion to solve biological puzzles is a great fit! Pls RT

Discover your #Ikigai in research with IDPs. #ikigai is the japanese concept to find your true purpose by combining what: you love, you're good at, the world needs, and you can be paid for. #IDPs provide a path. Create your own at myidp.sciencecareers.org #CareerGoals

Student Research Achievement Award group photo with Biophysical Society President Taekjip Ha at #BPS2024.

Thank you all for the nice discussion about the project. Very informative and unforgettable experience! Tim Gould Miranda Quintana Group, Richard Hennig

Happy to share our perspective with Marcelo on Advancing Molecular Dynamics: Toward Standardization, Integration, and Data Accessibility in Structural Biology | The Journal of Physical Chemistry UF Chemistry pubs.acs.org/doi/10.1021/ac… Hope it will lead to more conversations on the topic!

What a moment! #ACSSpring2024

Thanks to Lexin Chen, arup mondal, and Alberto Perez we are now in a PRIME position to select better cluster representatives from MD simulations: biorxiv.org/content/10.110… Code available at: github.com/mqcomplab/PRIME UF Chemistry

Our group has a postdoc opening starting this Fall. Feel free to reach out if you know someone would be a perfect fit for this position. Check it out👉 explore.jobs.ufl.edu/en-us/job/5312…

Looking how to select better representatives from your clusters? Take a look at Lexin Chen's PRIME repo: github.com/mqcomplab/PRIME Now with updated functionality and tutorials! Great collaboration with arup mondal and Alberto Perez UF Chemistry

Thanks Alberto Perez. It was a fantastic experience working with you. I am grateful for the guidance throughout my PhD. Indeed, it was a privilege to have Adrian Roitberg 🏳️‍⚧️ hood me.

A Computational Pipeline for Accurate Prioritization of Protein‐Protein Binding Candidates in High‐Throughput Protein Libraries - arup mondal - Angewandte Chemie International Edition - Wiley Online Library onlinelibrary.wiley.com/doi/10.1002/an… UF Chemistry

The EMDataResource Ligand Model Challenge assessed the reliability and reproducibility of modeling ligands bound to protein and protein–nucleic acid complexes in cryo-EM maps. nature.com/articles/s4159…

These EM-model challenges are an incredible resource to learn and hone tools. nature.com/articles/s4159… Big thanks to @17Dsarkar Mrinal Shekhar Alberto Perez arup mondal Sumit Christopher Rowley !! Our tools: cell.com/matter/pdf/S25…; ncbi.nlm.nih.gov/pmc/articles/P… 💕 Cathy & Wah !!

So, you've clustered your MD simulation: what's next? Lexin Chen, arup mondal, and Alberto Perez have the PRIME solution to selecting better cluster representatives, now out in JCIM & JCTC Journals: pubs.acs.org/doi/full/10.10… Code: github.com/mqcomplab/PRIME Tutorial: mdance.readthedocs.io/en/latest/

Group meeting special edition at #ACSFall2024. Alberto Perez arup mondal Bhumika Singh @Qianche00584996 ACS COMP

Shout-out to Alberto Perez for making a magistral presentation on our group's latest research.

#UFTeam heading to ACS Division of Chemical Information session at #ACSFall2024. Kenneth Lopez-Perez arup mondal @Qianche00584996 Bhumika Singh

Struggling with determining experimental data accuracy in integrative structural biology? Meet MELD-Adapt—a computational tool that dynamically evaluates data reliability & integrates with physics-based simulations for structure predictions! Read more: pubs.acs.org/doi/10.1021/ac…