Molecular Dynamics Simulations Starter Pack
For those of us using MD simulations to answer scientific questions 🤔🧪
Created by
@yiechanglin.bsky.social
@floppleton.bsky.social
Postdoc working on RNA Nanotech & MD simulations @uniheidelberg.bsky.social & MPIP. GROMACS wrangler, oxDNA developer. Trapped in an epic struggle between posting about my actual job and the desire to LARP my childhood dreams of being a *real* biologist.
@taraspogorelov.bsky.social
Theoretical & computational biophysics. In-cell signaling, protein, membrane, & lipid dynamics. Complex environments. Lab @UIUC: pogorelov.scs.illinois.edu
@mccullylab.bsky.social
The McCully Lab at Santa Clara University studies the structure, dynamics, and function of proteins towards designing better ones. sites.google.com/site/mccullylabscu BS WashU | PhD UW | Postdoc UCSF | Assoc prof SCU Acamama, PUI, family biking, Bay Area
@melolab.bsky.social
Using computers to solve biochemical challenges. All the fun, none of the dishwashing! https://www.itqb.unl.pt/labs/multiscale-modeling
@saragabrielli.bsky.social
Post-Doc in the Department of Theoretical and Computational Biophysics at Max Planck Institute for Multidisciplinary Sciences | MD simulations of the rib-awe-some 💻🔍🧬
@elenapapaleo.bsky.social
Associate Professor, Technical University of Denmark Group Leader, Danish Cancer Institute
@mohsensadeghi.bsky.social
comp. (bio)physics + AI for science + pretending to do bio/neuro stuff Staff Scientist at @fmp-berlin.de Opinions expressed are solely my own. https://mohsensadeghi.github.io https://linkedin.com/in/drmohsensadeghi
@herrflow.bsky.social
Theoretical Biophysicist. Family father, uniting Europe and Asia. Part-time writer, musician and Pen&Paper GM. All views are my own.
@nathaliereuter.bsky.social
Prof at U. of Bergen. Française and Norsk. Molecular modelling and protein bioinformatics. Membrane proteins are my favorites. Mother of two girls.
@labvanni.bsky.social
Computational biophysics and other amenities... "More thinking and less pipetting"
@pauloctsouza.bsky.social
Martini developer trying to make CG models more useful for molecular design and drug/vaccine delivery 🖥️+🍸=💊💉 | Group leader at CBPsmn/ENS de Lyon | CNRS Researcher at DAMM team of LBMC/ENS de Lyon | Scientific consultant
@anunesalves.bsky.social
Computational biochemist (ligand binding kinetics, crowding) Junior group leader at the Technical University Berlin Associate editor at the Journal of Chemical Information and Modeling Brazilian in Germany
@dimkol94.bsky.social
⚪️ Structural Biochemist studying Membrane Transport in Metabolic and Neuronal Disorders @UCPH ⚪️ CryoEM❄️🔬 comp. biophysics 🖥️ biochemistry🧪 ⚪️ PhD at Oxford in Structural Biology | Newstead Lab ⚪️ blues player 🎸 and dad music enthusiast
@anicoli90.bsky.social
💻 Computational chemist who loves to understand how biomolecules interact at the molecular level 📍 Molecular Modeling Group at the Leibniz Institute at the Technical University of Munich (DE)
@pcharchar.bsky.social
Researcher at RMIT University 🇦🇺 employing molecular dynamics 💻 to explore nano-bio interfaces. ✨️
@delalamo.xyz
Protein engineering & synthetic biochemistry at GSK Opinions my own https://linktr.ee/ddelalamo
@biomemphys.bsky.social
BioMemPhys – Theoretical & Computational Membrane Biophysics, Professor at Friedrich-Alexander University Erlangen-Nürnberg, Germany – loving biomembranes - immunology - immune domains - plasma membranes - molecular dynamics
@lexinc.bsky.social
PhD Candidate @ UF Chemistry | clustering, comp chem, ML | 🫧 mdancing with the stars ✨ https://lexin-chen.github.io/
@allaboutchemist.bsky.social
Quantum mechanic & machine learner. Senior principal scientist at Schrödinger, Inc. Sometimes a professor at The Cooper Union. https://orcid.org/0000-0003-0950-7775
@mverissi.bsky.social
Solid-state computational physicist turned theoretical enzymologist/computational chemist. Cat dad of three.
@amacbride.com
biology + computers + a leavening of snark | 👨👨👧👧🏳️🌈| nanomedicine | cancer genomics 🧬 | ML | biomaterials | #compchem #matsky #chemsky #ai4science #materialsinformatics #md | startups | @Cal 🐻 @Stanford @UniversityOfOxford @OxfordNano (swimsf on the Bad Place)
@groupquintana.bsky.social
RamO(N) Miranda Quintana Theoretical and Computational chemistry https://quintana.chem.ufl.edu/ #chemsky #compchemsky
@gezelter.bsky.social
Thinks about undergraduate education, theoretical chemistry, open science, molecular dynamics, and ice. The first “Dr. Who” for the Jmol team, Bagpiper, Dad. Chemistry Professor & Sr. Assoc. Dean @ University of Notre Dame. Posts are my own.
@jen-chem.bsky.social
Structural biologist and computational chemist in love affair with nuclear regulation and biomolecular condensation.
@sukritsingh92.bsky.social
Biophysicist｜Damon Runyon QB & NCI Early Stage K99/R00 Fellow at MSKCC w/ @jchodera.bsky.social | Team @foldingathome.org | PhD with @drgregbowman.bsky.social | Drug resistance, Protein dynamics, Dogs, Games My website: https://sukritsingh.github.io
@larsvbock.bsky.social
Theoretical and computational physicist working on ribosomes and antibiotics - atomistic simulations, statistical physics and ML. Project leader at the MPI for Multidisciplinary Sciences https://t.co/1ecLGaOjXB 🚴
@dheerajprakaash.bsky.social
Comp #Biophysics #Biochemistry Multiscale MD #simulations of #biomolecules Postdoc (2022-24) w/ @sykhalid.bsky.social @universityofoxford.bsky.social #bacteria #membrane #proteins PhD (2022) @universityofleeds.bsky.social #Immunology #T-cell #receptor
@martinvoegele.bsky.social
Computational Biophysicist, Amateur Photographer, History+Language Nerd. All views my own. Website: https://martinvoegele.github.io/
@mudgal17.bsky.social
PhD student at UniFr Switzerland | Phase separation | Computational Bio-physics/chemistry
@betterwithchem.bsky.social
PDRA at MME-UCL, previously PD at CBS-Montpellier ( @cbsmontpellier.bsky.social). Interested in MD simulations of order and chaos. https://scholar.google.com/citations?user=fK55KfEAAAAJ&hl=en
@riottowow.bsky.social
Postdoc at the Australian National University, molecular dynamics
@fabiololicato.com
Group Leader at the Heidelberg University Biochemistry Center (BZH) A computational physicist lost into a biochemistry Lab. Find me on Mastodon: @fabiolol@scientificnetwork.de https://fabiololicato.com
@ciarawallis.bsky.social
PhD Student at the Corry Lab, ANU Enjoyer of pentagonal proteins, MD simulations, parasites, and frogs :))
@wojciechkopec.bsky.social
Lecturer in Computational Pharmaceutical Chemistry at Queen Mary University of London | Visiting Scientist at the Max Planck Institute for Multidisciplinary Sciences | Computational Electrophysiology & Ion Channels Poland->Denmark->USA->Germany->UK..?
@chelseabrown.bsky.social
Postdoctoral researcher in the Marrink lab @ Groningen University | Former member of the Stansfeld lab @ Warwick University | Views are my own | She/her 🏳️🌈 https://orcid.org/0000-0003-2006-5015
@explainedbycats.bsky.social
@miroastore.bsky.social
Flatiron Research Fellow @flatironinst. Studying temperature sensing ion channels with molecular dynamics and cryoEM❄️🔬. @sydney_physics allum. he/him
@tozturk.bsky.social
Computational biophysicist | loves lipids and ion channels | bakes, reads, plays board games, runs a little island on animal crossing, collects stamps and stickers, also loves reading about writing
@philbiggin.bsky.social
Computational biochemist, interested in neuronal signalling at the atomic level and computer-aided drug design. All views my own. @bigginlab@fediscience.org @philbiggin@X bigginlab.web.ox.ac.uk
@sarahjpiper.bsky.social
Postdoctoral Researcher @MIPS Monash Uni in Melbourne. Interested in GPCR 🧠cryoEM ❄🔬 SciVis🔎💡🎨 Views and Arts are my own. Founder of @PiperProteins | PiperProteinProductions She/her
@delemottelab.bsky.social
Computational biophysicist, prof at KTH, Stockholm. Loves membrane proteins and mathematical models. Mom of twin toddlers. 🇫🇷🇸🇪
@robincorey.bsky.social
Assistant Professor in Pharmacology at University of Bristol | GPCRs and ion channels | molecular modelling and simulation | drugs and lipids
@justinlemkulvt.bsky.social
Associate Professor of Biochemistry at Virginia Tech. Comp Chem, CADD, and Drude FF contributor. Opinions my own. Go Hokies!
@pstansfeld.bsky.social
Professor of Computational Biochemistry. School of Life Sciences & Department of Chemistry, University of Warwick. Molecular Modeller of Membrane Proteins, Bacterial Biogenesis & Antimicrobial Resistance.
@sykhalid.bsky.social
Prof of Computational Microbiology. Oxford Biochemistry & St Anne’s College. Bacterial Cell Envelopes. LFC fan 🌈
@biorxiv-biophys.bsky.social
@rommieamaro.bsky.social
Professor at UC San Diego. Computational biophysics, biology, chemistry. Multiscale modeler. Viruses. Cancer. Co-Director of the Airborne Institute.
@lindorfflarsen.bsky.social
Protein and coffee lover, father of two, professor of biophysics and sudo scientist at the Linderstrøm-Lang Centre for Protein Science, University of Copenhagen 🇩🇰
@yiechanglin.bsky.social
Boya Postdoctoral Fellow @PKU | formally @corrylab.bsky.social, ANU MD simulations of lipids and membrane proteins Like PIP2, I am negatively charged in the head