RxTx Research

RxTx Research is utilizing the latest computational biochemical and biophysical scientific findings to develop the next generation open-source software.

[RxTx Research @RxTxResearch]

Our present and future focus is on the usage of #ArtificialIntelligence #AI and #MachineLearning #ML in molecular docking and #HTVS. The use of #RxDock as the core engine for these efforts will keep it relevant for many years to come. #compchem

[RxTx Research @RxTxResearch]

Happy 3rd birthday to #RxDock! 🎂 The first commit to RxDock was made on 24th April 2019. https://t.co/QsegfHhvPF

[RxTx Research @RxTxResearch]

During these three years, #RxDock was mentioned in a number of papers, articles, and blog posts, including the 2021 article https://t.co/7IeTIkM1qe by @DZoneInc discussing #ArtificialIntelligence #AI and #MachineLearning #ML and its impact on #drugdiscovery

[RxTx Research @RxTxResearch]

RxDock development diary: how we considered CMake, Waf, Meson and picked #Meson @mesonbuild as the build system for #RxDock https://t.co/0i3AMHX4O7 #rdock #htvs #compchem #foss

[RxTx Research @RxTxResearch]

Want to run #HTVS studies with #RxDock on your laptop or desktop PC? Here is how to get started with installing RxDock on a typical #Linux distribution (e.g. #Ubuntu 20.04 #LTS) https://t.co/L2fFkBwfta #compchem #opensource #rdock #rxdock

[RxTx Research @RxTxResearch]

Computational chemistry landscape in the era of open source software, RxTx's place in it, and future outlook https://t.co/FWLmh5xJDk #compchem #opensource #rdock #rxdock

[Jan Jensen (janhjensen.bsky.social) @janhjensen]

#compchem

[RxTx Research @RxTxResearch]

Recording of our talk titled "The development of #RxDock #web server and the future of #scalable pharmaceutical research in the cloud" presented at @AucklandUni School of Chemistry seminar on Friday is on @YouTube
https://t.co/P7dXXzbJGf #compchem #moleculardocking #docking #htvs

[RxTx Research @RxTxResearch]

#GTC 2020 keynote by @nvidia CEO Jensen Huang opens with #compchem software and #NVIDIA hardware powering the fight against #COVID19 by @nanopore @plotlygraphs @ORNL @scrippsresearch and others https://t.co/eNTxK3rJle

[CompChem Highlights @CCHighlights]

The Synthesizability of Molecules Proposed by Generative Models https://t.co/NJOqI4e4Mt #compchem

[Palli Thordarson @PalliThordarson]

1/25 Part 1 - Why does soap work so well on the SARS-CoV-2, the coronavirus and indeed most viruses? Because it is a self-assembled nanoparticle in which the weakest link is the lipid (fatty) bilayer. A two part thread about soap, viruses and supramolecular chemistry #COVID19

[Jan Jensen (janhjensen.bsky.social) @janhjensen]

Inhibitors for Novel Coronavirus Protease Identified by Virtual Screening of 687 Million Compounds https://t.co/0Inb6z4kZG #compchem

[Ariane Nunes Alves @anunesalves]

.@Rebecca_Wade_C , @DariaKokh and I wrote a review of computational methods to study ligand-protein binding kinetics. We assessed the performance of methods considering two benchmark systems, T4 lysozyme (T4L) and N-HSP90. (1/3)
@HITStudies #compchem
https://t.co/HSQZ5753aR

[Paul Bauer @MnpvAc]

Please let us know how to improve #GROMACS! @GMX_TWEET @BioExcelCoE

[RxTx Research @RxTxResearch]

The recording of our last week seminar at #UniRi #BioTech dept. seems to be quite popular on @YouTube under "University of Rijeka - Topic" channel #Research playlist #compchem #rxdock https://t.co/9dwatNvgaN

[Ian Kirker @ikirker]

“Check out my amazing pipeline! It’s so simple and so easily repeatable!”
“Oh? What is it based on?”
“The usual, you know, R, Python 2, Python 3, C, C++20, Perl, LaTeX, and an SMTP server. Oh, and packages from CRAN, Bioconductor, PyPI, CPAN, GitHub, Gitlab…”

[GROMACS @GMX_TWEET]

Come work on meeeee!

[RxTx Research @RxTxResearch]

Recording of our recent talk "Design of drugs using #RxDock high-throughput molecular docking software" is now posted on @YouTube https://t.co/zvZnwoHuvp #compchem #moleculardocking #docking #htvs

[Vedran Miletić 🇭🇷😎☀️🇩🇪🧬 @VedranMiletic]

Gave a great lecture at #UniRi #BioTech seminar on #RxDock https://t.co/FPBXBxSfsp, a fork of #HTVS molecular #docking software #rDock developed at @RxTxResearch #opensource #compchem

[Vedran Miletić 🇭🇷😎☀️🇩🇪🧬 @VedranMiletic]

This Friday at 2pm I will be presenting at University of Rijeka BioTech department seminar. I will talk about #RxDock https://t.co/n1SvwRjpsG, an actively developed fork of LGPLv3-licensed #HTVS molecular #docking software #rDock https://t.co/4VpTemF7aW #compchem
#opensource