Valentin Gradisteanu

Importing&Exporting🅱️roteins//
(EM)TCCM Student '23-'25 @UV_EG//
MSCA PhD candidate @SAMSONConnect//
Wannabe Scientific Illustrator//

[Valentin Gradisteanu @PDBXtra]

there's a new bobba place in town

[Stephane Redon @StephaneRedon]

Big update from OneAngstrom: SAMSON 2026 R1 is here! This release brings powerful new capabilities: the Path Analyzer, the Strain Explorer, and integration of Meta’s UMA force fields - plus more improvements across the platform.

We’re excited to keep pushing SAMSON forward for the molecular modeling community!

Learn more:

• What’s new in SAMSON 2026 R1: https://t.co/NuXWWTtkK6

• Path Analyzer: https://t.co/QBFYjlM2rH

• Strain Explorer: https://t.co/uciB74qNeO

• UMA force fields: https://t.co/ugvKbfdhTY

#MolecularDesign #ComputationalChemistry #MolecularModeling #SAMSON #MaterialsScience #DrugDiscovery

[Valentin Gradisteanu @PDBXtra]

@A_Frances_chem ✌️✌️

[Valentin Gradisteanu @PDBXtra]

Simulating enzyme catalysis with electrostatically embedded machine learning potentials - now published in Chemical Science https://t.co/UyZoHse88Y

[Valentin Gradisteanu @PDBXtra]

chemistry is reactivity, reactivity is QM
people respond to society, QM to MM
but
QM is slow, society is fast
switch to ML is the plan

Just got my first paper on ChemRxiv! Not just ML/MM—it's ML responding to MM, it's ML(EMLE)/MM!

Thx @EfmeGroup + collabs, grateful for the MSc!

[Valentin Gradisteanu @PDBXtra]

@rsaavedra_PhD @IQCCUdG Brrr brrr

[Valentin Gradisteanu @PDBXtra]

@EfmeGroup Feliz Navidad!!

[Valentin Gradisteanu @PDBXtra]

@TuChFi22 Really cool stuff

[Valentin Gradisteanu @PDBXtra]

@luminous_lab @Blender UwU

[Carlos Ramos @CarlosRTNT]

Half the taste of paella is company 😊 Lunch with former colleagues from @EfmeGroup @InakiTunon @_GM_Adrian @kirill_zinovjev @PDBXtra @mariaflowerz @brendaetal @schillings_jo

[BioComp @BioComp_UJI]

Multidisciplinary PROMETEO seminar "THEXBIOENG" CIPROM/2021/079 sponsored by @GVAinnova. Brilliant talks of our invited plenary speakers (S. Santamaría, P. Fernandes, V. Fernández-Moreira, M. Tomás Gamasa, JL Vicario, @alessio_lodola) and young scientists. @UJIuniversitat
@INAM

[Valentin Gradisteanu @PDBXtra]

@SneakyGenes Cheeky stuff

[Valentin Gradisteanu @PDBXtra]

Everyone always asks where's the water... but nobody ever asks how's the water. Only 1 water in 231945 might has the chance of intervening in the reaction, tough world we live in.

Something pretty cool will come shortly to @PDBXtra, keep tuned

#compchem #sciart #blender #chem

[Valentin Gradisteanu @PDBXtra]

No chorismate mutase without chorismate synthase (PDB: 1R53). Source: this was once revealed to me in a dream.

Horsies, chemically accurate depictions of angels and mad camera transitions. @PDBXtra is nothing more than dreamlike science.

#molecularnodes #sciart #compchem #b3d

[J2IFAM 2024 @j2ifam2024]

By the way, you can already find the certificate of attendance/contribution on the website and the "family" photo we took on the last day. Do not hesitate to contact us if you need anything else. 🫶🏿🫶🫶🏻🫶🏾🫶🏼

[J2IFAM 2024 @j2ifam2024]

Our next speaker is Valentin Gradisteanu, from Universitat de València, who is presenting a flash talk with the title “Development of embedded machine learning potentials for simulations of enzymatic catalysis” #J2IFAM2024

[Valentin Gradisteanu @PDBXtra]

~OOO~ @j2ifam2024 you will like my presentation ~OOO~

~OOO~ @j2ifam2024 you care about ML/MM and chorismate mutase ~OOO~

#compchem #sciart #b3d #molecularnodes #moleculardynamics

[Valentin Gradisteanu @PDBXtra]

PDBXtra presents: Chorismate Mutase Exposed

"Ancient heroes have become deformed in the concave mirrors of the street, with a grotesque transportation, but rigorously geometric." Valle-Inclán about esperpento
The new collection brings: QM/MM esperpento
Pst! It's my Master Thesis