#compchem Good read: 100 Years of the Lennard-Jones Potential doi.org/10.1021/acs.jc…

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

Accelerating Molecular Vibrational Spectra Simulations with a Physically Informed Deep Learning Model #machinelearning #compchem pubs.acs.org/doi/abs/10.102…

¿Tartaria se acaba de inventar sobre la marcha una H y toda una nueva mecánica cuántica? 🐐🐐🐐

Para el que le interese, aquí dejo un pedacito de Santaolalla que ha sido tapado por los millones de memes que han salio y creo que merece la pena escucharlo

30 Essays to Make You Love Biology Day 7. "Biology is more theoretical than physics," by Jeremy Gunawardena. It is often said "that biology is not theoretical," but that's not true. This essay gives examples where theory preceded & informed major discoveries. A must-read.

Today I presented the work "Study of the mechanism of inhibition of TcPTP1 by metalates analogous to vanadate" in Conesul2024. Was carried out with Dinorah Gambino and Gonzalo Scalese

🌐 La edición 2024 además contó con el auspicio de la Sociedad Argentina de Biofísica, Centro de Biología Estructural del Mercosur, @acspublications y @amerchemsociety #Conesul2024 #Biomoléculas #Simulaciones #inteligenciaartificial

Llegamos al último día y comenzamos maravillándonos junto al maestro Leonel Malacrida Advanced Bioimaging Unit que nos cuenta como la Bioimagenologia y la Bio Estructural son cada vez más amigas (y de Fourier, nunca nos olvidamos de el 🤣🤣) fmedoficial CEINBIO

Una semana intensa, 13 docentes, muchísima info, y mucha buena onda. Terminamos el curso de "Bio Estructural en Cs Medicas" con este precioso grupo de estudiantes. Gracias a todos los q lo han hecho posible! fmedoficial CEINBIO PEDECIBA Posgrado en Biotecnología, UDELAR Pro.In.Bio. UdelaR ANII - Uruguay

Scientists should get paid for thinking time nature #PhD #PhDlife #academics #AcademicChatter #AcademicTwitter #Postdocs #Research #Science

Crystallography for biology: CCP4 in the cloud Workshop supported by ccp4_mx featuring C. Ballard, A. Lebedev, R. Nichols, L. Catapano and A. Buschiazzo.

Good news for MD fans: the CG #SIRAH force field is now available on #NAMD! Simulate larger systems, longer timescales seamlessly from #AMBER topologies Explore MD like never before. SIRAH Forcefield AMBER md TCBGUIUC Institut Pasteur Montevideo . go.acs.org/b7M

BREAKING NEWS The Royal Swedish Academy of Sciences has decided to award the 2024 #NobelPrize in Physics to John J. Hopfield and Geoffrey E. Hinton “for foundational discoveries and inventions that enable machine learning with artificial neural networks.”

BREAKING NEWS The Royal Swedish Academy of Sciences has decided to award the 2024 #NobelPrize in Chemistry with one half to David Baker “for computational protein design” and the other half jointly to Demis Hassabis and John M. Jumper “for protein structure prediction.”

Hi LatinXChem presenting my work 'STRUCTURAL STUDY OF Trypanosoma cruzi PROTEINS' at #LatinXChem #LatinXChem2024 #LatinXChemBio #Bio64 #Crystallography #Bioinformatics

Hi LatinXChem , presenting my work "Interaction of metalates in the active site of Trypanosoma cruzi protein tyrosine phosphatase" at #LatinXChem24 #LatinXChemComp #Comp080

We are looking for a postdoc with a strong interest in coding to implement the MELD (Modeling Employing Limited Data) into the #AMBER suite of programs. Postdoc will work with the great Adrian sergio and my group. Apply here explore.jobs.ufl.edu/en-us/job/5333…

#AlphaFold3 code & weights are now open-source for academics! 🎉 Looking forward to seeing what new research this unlocks and how the research community builds on AlphaFold 3 for scientific discoveries!! Repo: github.com/google-deepmin…

Last weekend I had the pleasure of participating in the Uruguayan medicinal chemistry conferences. I was presenting part of the results of my master's thesis research on the speciation of polyoxovanadates in Trypanosoma cruzi culture media and their evaluation as antiparasitics