Aniket Magarkar
@aniket_magarkar
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Computational Chemist, Chess enthusiast
Joined March 2010
RT @philbiggin: A pleasure to work with Ben Ries, @HighSpeedMode, @nithishwer (@BiochemOxford) and @aniket_magarkar to help automate ABFEs…
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RT @philbiggin: Check out @matthewthwarren's latest work - How to make machine learning scoring functions competitive with FEP | ChemRxiv…
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RT @wpwalters: New Practical Cheminformatics tutorial highlighting some cool Python libraries, “Build and Test a QSAR Model in 8 Lines of P…
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RT @thesteinegger: We clustered the #AlphaFold structure database with our novel Foldseek algorithm. We identified 2.27M clusters and analy…
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RT @ChemMedChem: Prioritizing Small Sets of Molecules for Synthesis through in-silico Tools: A Comparison of Common Ranking Methods (Meier)…
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RT @FabioLolicato: 🚨 #LipidTime Job Alert🚨 (Pls RT 🙏) I have my first open Ph.D. position at @UniHeidelberg! A 3-year funded #DFG project!…
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RT @philbiggin: We are looking for post-doc to continue our collaboration with Boehringer Ingelheim and @aniket_magarkar for a 2 year post-…
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RT @philbiggin: Congratulations to @HighSpeedMode on the appearance of his study of how well ABFE calculations can be expected to perform i…
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It is an amazing feeling to attend an in person meeting in Edinburgh and present 'MD-SIMBA', our MD-Analysis pipeline to setup, run and analyze HT-MD data for drug design. #ccpbiosim2022 @Boehringer @HighSpeedMode @philbiggin
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RT @philbiggin: Congratulations to @GrosjeanHarold and his SAMPL7 fragment screening challenge write-up in collaboration with @FrankvonDelf…
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