#HighlightOfTheWeek 100 years of the Lennard-Jones potential.
#compchem
pubs.acs.org/doi/10.1021/ac…

🎉 Congratulations to Charlie and Fili! 👏 Kudos to Charlie for his first article and to Fili for his first article as a professor at Cinvestav Mérida!

This paper, published in JCIM & JCTC Journals, introduces GrowPAL.

pubs.acs.org/doi/10.1021/ac…

JCIM TECHNOLOGY WILL WORK WITH GROWTHX REVENUE ACCELERATOR IN 2024. indiegogo.com/projects/help-…

JCIM Technology creator of 'er of hr' (JCIM Technology ) and our product has been accepted into the GrowthX Revenue Accelerator. #GrowthX Revenue Accelerator will help JCIM Technology and our product

emle-engine is out in JCIM & JCTC Journals

pubs.acs.org/doi/10.1021/ac…

A new methodological contribution to ML/MM simulations from Kirill Zinovjev Iñaki Tuñón [email protected] and more!

Check out the Features and Benefits of 'er of hr'! linkedin.com/smart-links/AQ…

Just published in JCIM: 'The Future of Molecular Studies through the Lens of Large Language Models' – a visionary paper exploring the role and potential of large language models in molecular research. We evaluate their capabilities and envision future developments in this

Help fund and cultivate a Culture of Excellence with 'er of hr'

er of hr, your EEOC and Employee Relations Navigator where we Empower, Inspire, Motivate, and Encourage a culture of excellence!

Please join our team with 60+ years of exp. in Tech and HR startups. CrowdFunding

#HighlightOfTheWeek Intramolecular proton transfer in glycine obtained using enhanced-sampling molecular dynamics simulations and deep learning potentials.
#compchem
pubs.acs.org/doi/10.1021/ac…

#HighlightOfTheWeek Proton hopping over three water molecules, obtained using adaptive-shape QM/MM simulations. The proton indicator is displayed as a green sphere.
#compchem
pubs.acs.org/doi/10.1021/ac…

FOR IMMEDIATE RELEASE

JCIM Technology (JCIM Technology) Awarded Minority Business Enterprise ( #MBE ) Certification by FSMSDC

Miami, Florida - May 1, 2024
JCIM Technology is proud to announce that it has been officially certified as a Minority Business Enterprise ( #MBE ) by the

If you're looking to learn more about applications of free energy calculations, explore The Journal of Physical Chemistry B & #JCIM papers in this exciting #Collection : Applications of Free Energy Calculations to Biomolecular Processes 🔗 go.acs.org/9wE

Onyeka Onwenu - Lyogogo (1992). A singer/songwriter and actress dubbed the “Elegant Stallion” by the Nigerian press. Originally a secular artist, Onwenu made the transition to gospel music in the 1990s. The World Tour will resume again next weekend…youtu.be/JciM-pbXQEc?si…

📢 Exciting Research News!

We're excited to share our latest publication in the Journal of Chemical Theory and Computation (JCTC): 'Exploring the conformational ensembles of protein-protein complex with transformer-based generative model'
JCIM & JCTC Journals
pubs.acs.org/doi/10.1021/ac…

If you're looking to learn more about applications of free energy calculations, explore The Journal of Physical Chemistry B & #JCIM papers in this exciting #Collection : Applications of Free Energy Calculations to Biomolecular Processes 🔗 go.acs.org/9rB

📢 Call for Papers: Modeling Reactions from Chemical Theories to Machine Learning 🔎 from #JCIM seeks to showcase remarkable advancements in theoretical and computational modeling of chemical reactions. Submit your work by Oct 1, 2024!

Learn more today: go.acs.org/9pq

Just published in JCIM & JCTC Journals: how to extract *meaning* from arbitrary high-dim time series data? By using a dynamics based prior, our method outperforms β-VAE & other SOTA. Led by Dedi Wang, supported by DOE Office of Science

Paper: pubs.acs.org/doi/10.1021/ac…
Code: github.com/tiwarylab/Dyna…

Modeling Zinc Complexes Using Neural Networks
pubs.acs.org/doi/10.1021/ac…
Nullius in verba
#JCIM Vol64 Issue8 #MachineLearning #DeepLearning

We are thrilled to have our article 'Alchemical Free Energy Calculations on Membrane-Associated Proteins' accepted as Journal Cover at JCIM & JCTC Journals pubs.acs.org/doi/full/10.10…
Thanks to Michail Papadourakis for designing the cover art!

Explore this open call for papers from #JCIM 📝 Enhancing Coarse-Grained Models through #MachineLearning

Learn more today: go.acs.org/9pM

#compchem Just out in JCTC JCIM & JCTC Journals :
Lambda-ABF: Simplified, Portable, Accurate, and Cost-effective Alchemical Free Energy Computation.
doi.org/10.1021/acs.jc…

We introduce the lambda-adaptive biasing force (ABF) method for the computation of alchemical free-energy