Jan Brezovsky
@JanBrezovsky1
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Biophysicist & bioinformatician; Head of laboratory @UAM_IBMiB, opinions my own
Joined April 2020
RT @zoecournia: Please RT! .I have 2 postdoctoral positions in my lab @BRFAA_IIBEAA to work on MD sims for protein allostery, cryptic pocke….
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RT @GabriCorso: 🚀 Excited to release a major update to the Boltz-1 model: Boltz-1x!. Boltz-1x introduces inference-time steering for much h….
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RT @MedicagoCrew: With this review in Plant Physiology, we look at ABCG transporters, from in silico modeling and the recent advancements i….
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RT @MarkusWeingarth: I have 3 PhD and 3 postdoc positions available at Utrecht University, all in the context of ‘solid-state #NMR & drug d….
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RT @grynova_CCC: Gregor’s #Journal_Club on mitigating the basis set superposition error with the counterpoise correction opens the “Good pr….
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RT @JCIM_JCTC: Water Migration through Enzyme Tunnels Is Sensitive to the Choice of Explicit Water Model #MolecularDynamics ..
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RT @aravind_ram_: 1/5 🧵 Thrilled to share our latest research with @JanBrezovsky1 & @tunnelinggroup! We investigated how different water mo….
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RT @cojocarulab: We are still searching for a postdoc to work on applying and developing computational structural biology tools to understa….
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Latest from Brezovsky Lab (@JanBrezovsky1) at @UAM_IBMiB, "Impact of water models on the structure and dynamics of enzyme tunnels". We investigate how popular water models influence enzyme tunnels. Key Findings 1/4 📜👇. #Bioinformatics #Biophysics #MDsimulations #Tunnels
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RT @BettinaGKeller: Join us at @FU_Berlin as Post-Doc in molecular simulation of chemical reactions. Dive into rare events, machine-learned….
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A lot of work still to do, but indeed seems that CG MD simulations can be quite a good substitute for demanding all-atom ones when dealing with finding even quite rare transient tunnels in protein structures. Thanks for great input form @PomaResearch & @CG_Martini labs!!.
Glad to share our collaborative effort with @CG_Martini @JanBrezovsky1 @MandalNishita to study emergent protein tunnels by coarse-grained methods incl. our 💪 GōMartini 3 approach. Guess which method is recovering good agreement with all-atom MD.
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Decently "randomized" ones pls.
Length of the simulation and assessment of convergence are CRUCIAL. Just because a tutorial does 100 ns does NOT mean that is enough time for your application. Maybe it is, maybe not. You have to prove it. You also have to run replicates. Full stop.
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RT @JustinLemkulVT: Length of the simulation and assessment of convergence are CRUCIAL. Just because a tutorial does 100 ns does NOT mean t….
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RT @LindorffLarsen: 📣 WE ARE HIRING (TT assist. or assoc. prof). Come be my colleague at the University of Copenhagen 🇩🇰!. Copenhagen is a….
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RT @CarlssonLab: Interested in molecular dynamics simulations, free energy calculations, enzymes and evolution? My colleague Johan Åqvist i….
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RT @StephaneRedon: Do you have a master in computer science, computational chemistry or computational biology ? We have a fully funded PhD….
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RT @MandalNishita: Excited to share our research with @surpeta_b and @JanBrezovsky1, recently published in JCIM @JCIM_JCTC! .We explored ra….
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