Dominik presenting a slide with βQM/MM simulations in a nutshellβ
Our PhD student Dominik HΓΆrtnagel presented the plans for his PhD project at our first Cluster of Excellence for Circular Bioengineering retreat! A great first impression of our #excellence=austria cluster @fwf-at.bsky.social
#circularbioengineering #compchem
See circularbioengineering.boku.ac.at
17.11.2025 17:47 β π 4 π 0 π¬ 0 π 0
In the latest @livecomsjournal.bsky.social
perpetual review, Cavender et al overview NMR and crystallographic experimental datasets that can be used to benchmark protein force fields, including best practices for setup and analysis of simulations!:
livecomsjournal.org/index.php/li...
#compchem
28.10.2025 15:35 β π 18 π 7 π¬ 2 π 2
Looking forward to visit colleagues in Vienna and Graz π¦πΉ
If youβre in Vienna Iβm speaking on:
Prediction and Design of Intrinsically Disordered Proteins and Condensates (27/10 ISTA)
&
Understanding the Effects of Missense Variants Using Analyses of Protein Stability and Conservation (30/10 VBC)
26.10.2025 06:40 β π 19 π 5 π¬ 0 π 1
A watercolor rendering of a combined electrochemical reduction of CO2 to methanol with yeast based conversion of methanol to chemicals
8 PhD projects announced in a joint programme of BOKU University @bokuvienna.bsky.social TU Vienna @tuwien.at University Vienna @univie.ac.at on Green Chemistry!
Check details via the link β¬οΈ
The first 2 projects will be realised in my lab at BOKU.
www.tuwien.at/greenchem/en...
06.10.2025 13:54 β π 7 π 6 π¬ 0 π 0
Glucose Oxidase Initiates Radical Polymerizations by Direct Electron Transfer to Monomers
Glucose oxidase (GOx) is a widely used and studied enzyme, yet it continues to surprise with previously unknown activities. We report GOx to initiate radical polymerizations of acrylamides and methacr...
This is a paper by Eleonora Ornati and Iiulia Ushakova that I am really proud of. Who would have thought that the well-known Glucose Oxidase is up for some surprises, i.e., that it initiates radical polymerizations without the need for initiators or activation by light!
pubs.acs.org/doi/full/10....
01.10.2025 17:47 β π 7 π 3 π¬ 1 π 0
Very happy to see version 2.0 of our advanced GROMOS tutorials out in LiveCoMS today! It shows how we can keep a tutorial up to date with the latest developments, but without having to start from scratch. A big βthank youβ to all co-authors for their work!
#compchem
30.09.2025 17:42 β π 7 π 1 π¬ 0 π 0
Edgar Galicia AndrΓ©s presenting his talk on the Impact of Computer Simulations in Soil Science
Great start of the #MMSoilSci Symposium with a Keynote by Edgar Galicia AndrΓ©s on the Impact of Computer Simulations in #SoilScience followed by talks from Hessam Yazdani, Hannah Pollak, Milan PΕedota, and SΓ©bastien Le Crom.
#MolecularModeling @bokuvienna.bsky.social
www.cecam.org/workshop-det...
24.09.2025 21:40 β π 1 π 1 π¬ 0 π 0
Signpost to the symposium
Get together at BOKU University
Looking forward to three days of the International Symposium 2025 on Molecular modeling in soil science β achievements and perspectives #MMSoilSci hosted at @bokuvienna.bsky.social
www.cecam.org/workshop-det...
24.09.2025 12:37 β π 1 π 1 π¬ 0 π 0
The hunting horn group of BOKU University βGregor Mendlβ
Our rector, Eva Schulev-Steindl, welcomes the international community of molecular soil modellers to BOKU University!
Our @cecamevents.bsky.social meeting on Molecular Modeling in Soil Science got started with the BOKU Hunting Horn Group and a welcome address by our Rector! Very excited about the program of the next days!
@bokuvienna.bsky.social #compchem #mmsoilsky
24.09.2025 12:26 β π 2 π 0 π¬ 0 π 1
Good luck!
23.09.2025 09:44 β π 2 π 0 π¬ 0 π 0
Congratulations to both you and to the university of Freiburg! Welcome to Europe!
15.09.2025 19:22 β π 1 π 0 π¬ 1 π 0
FΓΌr unsere Stabsstelle am Department fΓΌr Naturwissenschaften und nachhaltige Ressourcen suchen wir ein*e Office Manager*in im Bereich Forschung. Deadline am 18.9.! Join a great team @bokuvienna.bsky.social
boku.ac.at/fileadmin/da...
11.09.2025 11:42 β π 2 π 1 π¬ 0 π 0
Johannes in front of one of his slides about the integration of experiments and simulation
This week, Johannes @jostoe.bsky.social did a brilliant job at presenting and defending his PhD thesis. It was pleasure to listen to the great discussion with examiners @sykhalid.bsky.social and Christian SchrΓΆder. Congratulations, Johannes!!
#compchem π»π§ͺ
@bokuvienna.bsky.social
06.09.2025 09:46 β π 14 π 1 π¬ 1 π 1
Biochemie / Biochemistry::BOKU
BOKU University in Vienna is recruiting a full professor for Biochemistry! Check out the description below, apply and join us in beautiful Vienna.
@bokuvienna.bsky.social
π§ͺπ§ͺπ§ͺ
short.boku.ac.at/53e6g6
25.08.2025 07:19 β π 11 π 14 π¬ 1 π 0
About one week left to apply for this PhD position in my group! Are you a computational chemist, with an interest in protein-protein interactions? Apply soon and join us in beautiful Vienna!
#compchem π§ͺ @bokuvienna.bsky.social
@biotop-phd.bsky.social
15.08.2025 06:15 β π 13 π 6 π¬ 0 π 0
Table of contents figure
Our latest Best Practices article "Developing Monte Carlo Methodologies in Molecular Simulations" is out now and describes how to derive acceptance probabilities for a variety of Monte Carlo moves:
doi.org/10.33011/liv...
#compchem
11.08.2025 18:32 β π 15 π 8 π¬ 1 π 0
banner informing about the conference Recombinant Protein Production RPP12, 7-9 October 2025, in Ulm in Germany
Just 5 more days to register and submit your abstract!
If you are working on Recombinant Protein Production, RPP12 is the conference to go! Oct. 7-9, Ulm, Germany.
Abstract submission and early bird registration still open until August 15!
www.efbiotechnology.org/RPP
11.08.2025 12:39 β π 6 π 2 π¬ 0 π 0
Bene in front of an image of the cover of his thesis, entitled βThe joys and pitfalls of accelerated enveloping distribution samplingβ
Itβs been a while already, but PhD student Bene did a great job at defending his PhD thesis, entitled βThe joys and pitfalls of accelerated enveloping distribution samplingβ. Congratulations, Dr. Bene!
31.07.2025 12:27 β π 3 π 0 π¬ 0 π 0
Are you passionate about AI & molecular engineering? Just βΌοΈoneβΌοΈ week left to apply to the 2 PhD positions currently open in our team at Chalmers! π Apply to join us in here in lovely Gothenburg, Sweden πΈπͺπ€©
For details: ailab.bio/join-us
15.07.2025 11:44 β π 8 π 3 π¬ 0 π 0
Interested in enhanced sampling for molecular dynamics simulations? Check out the latest LiveCoMS tutorial on Running Gaussian-accelerated Molecular Dynamics Simulations in NAMD:
livecomsjournal.org/index.php/li...
#compchem
12.07.2025 19:55 β π 14 π 5 π¬ 2 π 0
BioToP
We will have a fully funded PhD position available in the context of out doctoral program Biomolecular Technology of Proteins. The project involves simulations of protein-protein interactions. Join us in beautiful Vienna and check out biotop.boku.ac.at/application2...
#compchem
08.07.2025 16:16 β π 7 π 3 π¬ 0 π 1
Iuliia in front of a powerpoint slide describing some of her plans to continue her work at BOKU.
Today, Iuliia Ushakova presented her PhD project in the context of the @metrazymes.bsky.social program. Iuliia did the first part of her PhD at the
@bruns-lab.bsky.social, and now continues @bokuvienna.bsky.social ! Thanks to the @ec.europa.eu for making this possible.
25.06.2025 18:08 β π 13 π 4 π¬ 0 π 0
Roelfes group - Open Positions
PhD position on Hybrid biocatalytic cascades aided by Machine learning (1.0 FTE)
π’π’π’ PhD Opportunity!
Join our research group at RUG! We're seeking a motivated PhD student for a project on biocatalytic cascade processes combining natural and designer enzymes, supported by machine learning.
Click below to learn more β and feel free to share!
sites.google.com/rug.nl/roelf...
12.05.2025 09:10 β π 11 π 13 π¬ 0 π 1
It really was a wonderful retreat! Thanks for all the great talks and discussions.
11.05.2025 16:32 β π 3 π 0 π¬ 0 π 0
On show now in Venice at #UniversePavilion (in frame of #biennale)
Kristina Puljakova' wonderful piece on space survival aied by biotechnology.
The artist (2nd right) together with @bokuvienna.bsky.social scientists who worked with her during the lab residency
10.05.2025 05:59 β π 15 π 3 π¬ 0 π 0
Welcome to Bluesky, BioToP! Looking forward to seeing the great BioToP-science highlighted here!
07.05.2025 15:43 β π 3 π 0 π¬ 0 π 0
It was a great event, where I taught and learned a lot. Very happy that Metrazymes and @ec.europa.eu made this possible. We currently have two participants visiting our lab!
06.05.2025 19:38 β π 2 π 0 π¬ 0 π 0
we are hiring:
Senior Scientist at the Institute of Microbiology and Microbial Biotechnology @bokuvienna.bsky.social
- experience in bacterial biotechnology
- active German knowledge necessary for undergrad teaching
Initial contract until end of 2025. Extension possible!
boku.ac.at/fileadmin/da...
01.05.2025 07:28 β π 7 π 5 π¬ 0 π 0
Professor of Sustainable Functional Polymers at Technical University of Darmstadt. All views are my own.
Un uomo stupido con dei piedi perfetti. Biochimico computazionale. Bevitore professionista di camomilla. Socialogo.
International Doctoral Program - Biomolecular Technology of Proteins - BOKU University, Vienna
Assistant professor for machine learning, deep learning, and AI for chemistry at TU Wien. Programmer, scientist, and puppy-enthusiast
Global advisor on better cities, city planning, transportation & urban change. City planner + urbanist leading @ToderianUW.bsky.social. Past Chief Planner for Vancouver BC. Past/founding President of @CanUrbanism.bsky.social. International speaker & media.
Assistant professor in Data Science and AI at Chalmers University of Technology | PI: AI lab for Molecular Engineering (AIME) | ailab.bio | rociomer.github.io
Marie SkΕodowska-Curie Doctoral Network Metal-containing Radical Enzymes (MetRaZymes), funded by the European Unionβs Horizon Europe Research and Innovation Programme.
Interdisciplinary group at the University of Groningen @rug.nl working on Artificial Enzymes, Bioorthogonal Catalysis and Chemistry in Living Cells. Posts by group members.
https://sites.google.com/rug.nl/roelfesgroup/
Strategic R&D Leader | Driving Innovation & Operational Excellence in Biotech & Pharma | EMBA Candidate
Prof at UC San Diego's Skaggs School of Pharmacy and Pharmaceutical Sciences.
Concepts, tools and methods: stat thermo of binding. GIST. BindingDB. Open Force Field. Other stuff...
Does some ceramics, i.e., potters around.
Researcher at Orbital Materials. Working on molecular simulation with ML for chemical engineering applications.
European Research Council, set up by the EU, funds top researchers of any nationality, helping them pursue great ideas at the frontiers of knowledge. #HorizonEU
An international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry.
π Website rsc.li/PCCP
The Living Journal of Computational Molecular Science (LiveCoMS) provides a peer-reviewed home for computational molecular science papers that can and should be updated. https://livecomsjournal.org/
