#qmmm — Public Fediverse posts

Another stop this year — Prague! 🇨🇿

I’ve been awarded a Visegrad Fellowship for a research stay at Charles University! I’ll be joining Prof. Jaroslav V. Burda’s group to work on gold(I) metallodrugs and thioredoxin reductase using QM/MM simulations. 🧬

— Is it going to be a great two weeks of science and collaboration in the V4 region? — Ano. 🤓

#VisegradFund #CharlesUniversity #QMMM #DrugDiscovery #Prague #Science #V4

Another stop this year — Prague! 🇨🇿

I’ve been awarded a Visegrad Fellowship for a research stay at Charles University! I’ll be joining Prof. Jaroslav V. Burda’s group to work on gold(I) metallodrugs and thioredoxin reductase using QM/MM simulations. 🧬

— Is it going to be a great two weeks of science and collaboration in the V4 region? — Ano. 🤓

#VisegradFund #CharlesUniversity #QMMM #DrugDiscovery #Prague #Science #V4

Another stop this year — Prague! 🇨🇿

I’ve been awarded a Visegrad Fellowship for a research stay at Charles University! I’ll be joining Prof. Jaroslav V. Burda’s group to work on gold(I) metallodrugs and thioredoxin reductase using QM/MM simulations. 🧬

— Is it going to be a great two weeks of science and collaboration in the V4 region? — Ano. 🤓

#VisegradFund #CharlesUniversity #QMMM #DrugDiscovery #Prague #Science #V4

Another stop this year — Prague! 🇨🇿

I’ve been awarded a Visegrad Fellowship for a research stay at Charles University! I’ll be joining Prof. Jaroslav V. Burda’s group to work on gold(I) metallodrugs and thioredoxin reductase using QM/MM simulations. 🧬

— Is it going to be a great two weeks of science and collaboration in the V4 region? — Ano. 🤓

#VisegradFund #CharlesUniversity #QMMM #DrugDiscovery #Prague #Science #V4

Another stop this year — Prague! 🇨🇿

I’ve been awarded a Visegrad Fellowship for a research stay at Charles University! I’ll be joining Prof. Jaroslav V. Burda’s group to work on gold(I) metallodrugs and thioredoxin reductase using QM/MM simulations. 🧬

— Is it going to be a great two weeks of science and collaboration in the V4 region? — Ano. 🤓

#VisegradFund #CharlesUniversity #QMMM #DrugDiscovery #Prague #Science #V4

Looking forward to comparisons, experiences, and pointers to similar tools. #ComputationalChemistry #Enzymology #QMMM #MachineLearning #MolecularSimulation #MLforScience #ReactionMechanisms #DrugDiscovery #HPC #ChemRxiv 🧵 12/12

Looking forward to comparisons, experiences, and pointers to similar tools. #ComputationalChemistry #Enzymology #QMMM #MachineLearning #MolecularSimulation #MLforScience #ReactionMechanisms #DrugDiscovery #HPC #ChemRxiv 🧵 12/12

QMMM Soars 1700% After Blockchain Strategy Announcement While Sol Drops - TLDR

QMMM Holdings’ stock surged over 1700% following its blockchain and AI integration ... - https://blockonomi.com/qmmm-soars-1700-after-blockchain-strategy-announcement-while-sol-drops/ #defidevelopmentcorp. #metaplanet #ethereum #bitcoin #solana #defi #news #qmmm #web3

How Do OH– and H3O+ Recombine in Water Nanodroplets?
Effects of spatial confinement on the recombination of autodissociated water ions investigated
https://www.chemistryviews.org/how-do-oh-and-h3o-recombine-in-water-nanodroplets/

#nanochemistry #nanodroplets #QMMM #chemistry #chemistryviews #chemviews

How Do OH– and H3O+ Recombine in Water Nanodroplets?
Effects of spatial confinement on the recombination of autodissociated water ions investigated
https://www.chemistryviews.org/how-do-oh-and-h3o-recombine-in-water-nanodroplets/

#nanochemistry #nanodroplets #QMMM #chemistry #chemistryviews #chemviews

How Do OH– and H3O+ Recombine in Water Nanodroplets?
Effects of spatial confinement on the recombination of autodissociated water ions investigated
https://www.chemistryviews.org/how-do-oh-and-h3o-recombine-in-water-nanodroplets/

#nanochemistry #nanodroplets #QMMM #chemistry #chemistryviews #chemviews

How Do OH– and H3O+ Recombine in Water Nanodroplets?
Effects of spatial confinement on the recombination of autodissociated water ions investigated
https://www.chemistryviews.org/how-do-oh-and-h3o-recombine-in-water-nanodroplets/

#nanochemistry #nanodroplets #QMMM #chemistry #chemistryviews #chemviews

How Do OH– and H3O+ Recombine in Water Nanodroplets?
Effects of spatial confinement on the recombination of autodissociated water ions investigated
https://www.chemistryviews.org/how-do-oh-and-h3o-recombine-in-water-nanodroplets/

#nanochemistry #nanodroplets #QMMM #chemistry #chemistryviews #chemviews

Deadline extended to May 10th!
#Postdoc position - looking for experience with Biomolecular Simulation (molecular dynamics, ideally #QMMM) and #Python, and interest in #enzymes and #ML potentials

New link:
https://www.bristol.ac.uk/jobs/find/details/?jobId=312015&jobTitle=Research%20Associate%20in%20Computational%20Enzymology

#BlackInSTEMM particularly encouraged.

Please share!
(Email me with questions)

Quantum mechanics of hydrated calcium in GluA2! Fun Collaboration as part of the #dynion @dfg_public research group.

Mechanism of Calcium Permeation in a #Glutamate Receptor #IonChannel #MolecularDynamics #QMMM

https://pubs.acs.org/doi/10.1021/acs.jcim.2c01494

Vol63 Issue4 #JCIM #compchem
#biophysics

Quantum mechanics of hydrated calcium in GluA2! Fun Collaboration as part of the #dynion @dfg_public research group.

Mechanism of Calcium Permeation in a #Glutamate Receptor #IonChannel #MolecularDynamics #QMMM

https://pubs.acs.org/doi/10.1021/acs.jcim.2c01494

Vol63 Issue4 #JCIM #compchem
#biophysics

Quantum mechanics of hydrated calcium in GluA2! Fun Collaboration as part of the #dynion @dfg_public research group.

Mechanism of Calcium Permeation in a #Glutamate Receptor #IonChannel #MolecularDynamics #QMMM

https://pubs.acs.org/doi/10.1021/acs.jcim.2c01494

Vol63 Issue4 #JCIM #compchem
#biophysics

Quantum mechanics of hydrated calcium in GluA2! Fun Collaboration as part of the #dynion @dfg_public research group.

Mechanism of Calcium Permeation in a #Glutamate Receptor #IonChannel #MolecularDynamics #QMMM

https://pubs.acs.org/doi/10.1021/acs.jcim.2c01494

Vol63 Issue4 #JCIM #compchem
#biophysics

Just had the fantastic news that my @[email protected] student @[email protected] won a poster prize at #YMF2022 in Oxford! 🎉
#enzymes #QMMM @[email protected]