
Swaroop కూనపులి
@swaroopkunapuli
🇮🇳 Grad student @gradcscunistra🇨🇵.
ID: 1117701371564716034
15-04-2019 08:09:07
1,1K Tweet
355 Followers
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Quantification of the Impact of Structure Quality on Predicted Binding Free Energy Accuracy pubs.acs.org/doi/10.1021/ac… Gary Tresadern #JCIM Vol65 Issue13 #compchem



HADDOCK3: A Modular and Versatile Platform for Integrative Modeling of Biomolecular Complexes #HADDOCK pubs.acs.org/doi/10.1021/ac… Marco Giulini Alexandre Bonvin - also on Bluesky #JCIM Vol65 Issue13 #Bioinformatics





New Video Series: Statistics & Data Analysis! youtube.com/watch?v=QIXUTs… 35 videos, 10 hours: Random sampling, Central limit theorem, Distribution estimation, Method of moments, Maximum likelihood estimation, Hypothesis testing, Monte Carlo sampling, Bayesian statistics, and more!



CADENCE: Clustering Algorithm─Density-Based Exploration and Novelty Clustering with Efficiency pubs.acs.org/doi/10.1021/ac… Miranda Quintana Group #JCIM Vol65 Issue13 #compchem



AIQM2 just got published in Chemical Science! This #ML method's high speed, competitive accuracy, and robustness enable organic reaction #compchem simuls beyond what is possible with the popular DFT methods. It can be used for TS opt and dynamics, often with chemical accuracy.



