New Highlight article from @ioana_ilie_UvA and first author Daria de Raffele:
'Unlocking novel therapies: cyclic peptide design for amyloidogenic targets through synergies of experiments, simulations, and machine learning'
#openaccess 🔓
buff.ly/3HiZkRn
Exciting new paper @CompChemUvA! Van 't Hoff et al. employ graph theory to model linoleate biopolymerization yielding experimentally verifiable outcomes. A remarkable leap in understanding complex biochemical processes! #CompChem#Graphtheory#Polymershorturl.at/izDIU
6K Followers 2K FollowingComputational Chemist. Assoc. Prof. @OxfordChemistry. Proud member of @duarte_group. Organic Chemistry Fellow at @HertfordCollege...You can find me on LinkedIn
46 Followers 101 FollowingChemical Simulations Group @Exactas_UBA @UBAonline
Biomolecules, materials and other complex systems
QM/MM methods
Free energy calculations
https://t.co/52IgPiwmlw
78 Followers 280 FollowingAmbulant begeleider bij Magentazorg. Moeder van drie kinderen, getrouwd. Passies: tuinieren, fietsen, body balance, yoga, koken, groen kamperen, rust en ruimte.
129 Followers 1K FollowingPostdoc from 🇧🇷 at @UCMercedPhysics.
I study light induced changes in materials using awesome super computers 👨💻🤘
Married, father of two and play 🎸
8K Followers 4K FollowingMolecules (ISSN 1420-3049, IF 4.6) is an international, #openaccess journal, covering all aspects of #chemistry, published semi-monthly online by MDPI
729 Followers 217 FollowingAssistant professor in chemistry at University of Amsterdam, interested in supramolecular catalysis, MOF-catalysis, artificial photosynthesis
4K Followers 1K FollowingThe MOST CITED journal in chemical physics publishing cutting edge research in all areas of modern #chemicalphysics and #physicalchemistry at @AIP_Publishing
3K Followers 85 FollowingThe official account of the Amsterdam Machine Learning Lab (AMLab) @UvA_Amsterdam, co-directed by Max Welling (@wellingmax) and Jan-Willem van de Meent (@jwvdm)
2K Followers 845 FollowingProtein Folding and Conformational Diseases Lab at @UABBarcelona Lead by Prof. Salvador Ventura, CoFounder of @EurekaNBE, Director of @I3PtT
576 Followers 432 FollowingScientist. Full Professor at Politecnico di Torino (IT) @politonews, @ERC_research grantee, head of @LabPavan - https://t.co/GVzumEraiC
635 Followers 586 FollowingThe Erwin Schrödinger International Institute is a visitors-oriented research institute for #Mathematics and #Physics at @univienna.
@[email protected]
729 Followers 217 FollowingAssistant professor in chemistry at University of Amsterdam, interested in supramolecular catalysis, MOF-catalysis, artificial photosynthesis
3K Followers 2K FollowingLCT is a joint @Sorbonne_Univ_ & @CNRS Research Center. #compchem.
⚠ Frozen account
👉 Follow us on #BlueSky: https://t.co/Z9V8Fz0Bh5
2K Followers 162 FollowingDirector of the Laboratory of molecular simulation (LSMO),
Ecole Polytechnique Fédérale de Lausanne (EPFL)
and
University of California, Berkeley
2K Followers 144 FollowingThis account is inactive. Existing posts will remain available, but no new content will be posted. For information regarding funding, see https://t.co/sqNlItjGGH.
27K Followers 2K FollowingHead of Sci/cofounder @FutureHouseSF. Prof of chem eng @UofR (on sabbatical). Automating science with AI and robots in biology. Corvid enthusiast
2K Followers 394 FollowingProf F.L. Gervasio's lab at UCL and Uni Geneva. Follow us for the latest #compchem and, #DrugDiscovery updates from the lab. @gervasiolab.bsky.social
1K Followers 430 FollowingResearch at the intersection of fundamental physical organic chemistry, main group chemistry and circular chemistry. Views my own.
2K Followers 187 FollowingGrollman-Glick Professor of Pharmaceutical Sciences
Director, CADD Center
School of Pharmacy
University of Maryland, Baltimore
Co-founder and CSO, SilcsBio LLC
38K Followers 4K FollowingProfessor of Chemistry at Northwestern University. 2016 #chemnobel. Mingles art with science. Wears chemistry proudly on his sleeve.
10K Followers 522 FollowingRoyal Society Research Professor & Sir Samuel Hall Chair of Chemistry, University of Manchester, UK. European. molecules・ machines・ magic
3K Followers 694 FollowingAssociate Professor of Biochemistry at Virginia Tech. Drude FF contributor, #compchem, simulations, and CADD. Tweets are my own. RT != endorsements. Go #Hokies!
83 Followers 39 FollowingIvo Filot is a theoretical chemist. His current research involves the elucidation of the complex Fischer-Tropsch reaction mechanism using DFT.
2K Followers 604 FollowingAustralia's leading supercomputing, big data and AI facility. Home of the Gadi supercomputer. Supporting 5000+ researchers across dozens of disciplines.
4K Followers 235 Followingnews and views from the research groups of H. Grubmüller, B. de Groot and A. Godec @mpi_nat Göttingen, Germany, Imprint: https://t.co/LsGpAHa8MP