Rodrigo Moreira

🧪 Chemistry Master's student at @FqUdelar @udelaruy
🧬 Medicinal Inorganic Chemistry 🔬 Computational chemistry 💻 Programmer (in free time)

[Rodrigo Moreira @rodri2000m]

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

[Paulyna Magaña @paulynamagana]

#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: https://t.co/ZV0oxqlaQw

[Alberto Perez @Al__Perez]

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 @roitberg and my group. Apply here https://t.co/iaxccHP8Fw

[Mai Cabrera @Mai68704086]

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

[Rodrigo Moreira @rodri2000m]

@GustavMondragon @LatinXChem Estamos iniciando pruebas en la parte de dinámicas híbridas, usando DFT en los residuos del sitio y contemplando el resto de la proteína con mecánica clásica. Además de incluir modelos de solvatación explícitos.

[Rodrigo Moreira @rodri2000m]

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

[Rodrigo Moreira @rodri2000m]

@GustavMondragon @LatinXChem Para el caso de las tirosinfosfatasas de este tipo el mayor cambio estructural de la proteína está asociado al loop P en la entrada del sitio (dónde participa el ASP196) así que si hay un efecto importante.

[Rodrigo Moreira @rodri2000m]

@RS_Chemist @LatinXChem We select these metals because we synthesize polyoxoanions and these metals are very known. Particulary V(V), Nb(V) and Ta(V) form an structure of type [M10O28]6-. We found that the use of polioxoanions gives grater biological activity but over time they are degraded

[Rodrigo Moreira @rodri2000m]

@RS_Chemist @LatinXChem Hi,
In the case of Ta(V) there are reports of coordination compunds as alkaline phosphatase inhibitors. I have not found Nb(V) compounds as phosphatase inhibitors. However in the both cases the number of compunds is minor than vanadium that is more studied.

[Rodrigo Moreira @rodri2000m]

@chago_16_ @LatinXChem En los manuales de Gaussian y de ORCA hay ejemplo de como restringir posiciones de átomos específicos. Conviene buscar si para tu sistema hay algun trabajo previo, así ya sabes que funcional y funciones de base te conviene usar

[Rodrigo Moreira @rodri2000m]

@chago_16_ @LatinXChem Muchas gracias! Si, puede usarse para cualquier sitio y la metodología es bastante común. El mayor problema de usar solo el sitio activo es que no se van a observar efectos del resto de la proteína en el mismo

[The Nobel Prize @NobelPrize]

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.”

[The Nobel Prize @NobelPrize]

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.”

[The Journal of Physical Chemistry @JPhysChem]

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. @SIRAHForcefield @ambermdprog @tcbguiuc @IPMontevideo @FqUdelar
https://t.co/aG56OXt8iK

[VI LACA Meeting @laca2024]

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

[Science News @SciencNews]

Scientists should get paid for thinking time @Nature

#PhD #PhDlife #academics #AcademicChatter #AcademicTwitter #Postdocs #Research #Science

[Ari Zeida @ZeidaAri]

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 @posgradobiotec1 @ProinbioFMed @ANIIuy

[Ari Zeida @ZeidaAri]

Llegamos al último día y comenzamos maravillándonos junto al maestro @MalacridaLab @advanced_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

[Niko McCarty. @NikoMcCarty]

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.

[Exactas UBA @Exactas_UBA]

🌐 La edición 2024 además contó con el auspicio de la Sociedad Argentina de Biofísica, @red_cebem, @acspublications y @amerchemsociety

#Conesul2024 #Biomoléculas #Simulaciones #inteligenciaartificial