Living Journal of Computational Molecular Science @livecomsj
The Living Journal of Computational Molecular Science (LiveCoMS) provides a peer-reviewed home for living articles in this subject area. livecomsjournal.org Joined July 2018-
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Or choose a platinum open access option (LiveCoMS, SciPost Chem, or similar options) that incorporates both preprint aspects and formal publication. The best of both worlds.
Or choose a platinum open access option (LiveCoMS, SciPost Chem, or similar options) that incorporates both preprint aspects and formal publication. The best of both worlds.
Cell wants you to pay $10,400 to make the revised version of your paper open access. Or, you can just *not* publish in @CellPressNews journals, preprint your work to share it with everybody, and incorporate constructive feedback from the community. cell.com/open-access
Cell wants you to pay $10,400 to make the revised version of your paper open access. Or, you can just *not* publish in @CellPressNews journals, preprint your work to share it with everybody, and incorporate constructive feedback from the community. cell.com/open-access
Please try out our #namd tutorial/protocol on FEP-based binding affinity calculations! Published in @livecomsj -- so we can address your feedback in version 2! Send it on!
Please try out our #namd tutorial/protocol on FEP-based binding affinity calculations! Published in @livecomsj -- so we can address your feedback in version 2! Send it on!
Interested in predicting kinetic rates for drug-target interactions from simulation? Check out our tutorial on SEEKR2, which aims to do exactly that. livecomsjournal.org/index.php/live… #compchem
New blog post up, on why @livecomsj matters! livecomsjournal.org/index.php/live… We're seeing some conventional journals adopting some of our ideas, so it's worth taking a moment to reflect. #compchem
And we also have a new suite of tutorials for getting started with the BioSimSpace framework for interoperable biomolecular simulations; this comes with a big set of example notebooks. livecomsjournal.org/index.php/live… #compchem
We have a new tutorial out, on absolute binding free energy calculation via a NAMD-based approach, SAFEP. livecomsjournal.org/index.php/live…
We have a new issue out! This includes our first "version 2" article, an updated and expanded article dealing with a new version of the WESTPA enhanced sampling package: livecomsjournal.org/index.php/live… Issue: livecomsjournal.org/index.php/live… #compchem
Andrew White crow/acc @andrewwhite01
20K Followers 2K Following Head of Sci/cofounder @FutureHouseSF. Prof of chem eng @UofR (on sabbatical). Automating science with AI and robots, starting with bio.
Kresten Lindorff-Lars.. @LindorffLarsen
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Syma Khalid @ProfSyK
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Wojciech (Wojtek) Kop.. @wojciechkopec3
4K Followers 4K Following new lecturer @chemistry_qmul | guest scientist @compbiophys | Computational Electrophysiology simulations | Living with insomnia | 🇵🇱🇩🇰🇺🇸🇩🇪🇬🇧
Jan Jensen @janhjensen
9K Followers 653 Following Computational chemist at the University of Copenhagen. PChem Editor-in-Chief @PeerJChemistry. #compchem
Jean-Philip Piquemal @jppiquem
6K Followers 2K Following Theoretical Chemist @Sorbonne_Univ_ & Director @LCT_UMR7616, @ERC_Research Fellow, CSO & co-founder @qubit_pharma, FRSC (my views)
Olexandr Isayev 🇺�.. @olexandr
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Martin Vögele @Blendenfleck
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5K Followers 381 Following cheminformatics, machine learning, drug discovery, opinions
Ariane Nunes Alves @anunesalves
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Lucie Delemotte @DelemotteLab
4K Followers 2K Following Computational biophysicist, scilifelab fellow and associate prof at KTH. Loves membrane proteins and mathematical models. mastodon: [email protected]
Jim Pfaendtner @JimPfaendtner
7K Followers 4K Following Dean of Engineering, Faculty, Mental health advocate, @JPhysChem senior editor, PS5 enthusiast, fantasy/sci-fi, CrossFit. Opinions are my own. he/him.
Fernanda Duarte @fjduarteg
6K Followers 2K Following Computational Chemist. Assoc. Prof. @OxfordChemistry. Proud member of @duarte_group. Organic Chemistry Fellow at @HertfordCollege
David Mobley @davidlmobley
4K Followers 236 Following Professor, PharmSci & Chem @UCIrvine. Grad program director. Editor @LiveCoMS. Christian, dad of 6. @[email protected]
Michael Shirts @Michael_Shirts
2K Followers 200 Following Professor of Chemical & Biological Engineering at @CUBoulder. Molecular modeling methodology and applications with wiggling molecules. Views mine.
Anand Srivastava @mbuanand
3K Followers 427 Following Anand Srivastava, Associate Professor, Molecular Biophysics Unit, Indian Institute of Science (IISc)-Bangalore
John Chodera (he/him) @jchodera
9K Followers 8K Following Changing drug discovery one ratio of partition functions at a time. Heading up antiviral discovery for pandemics: https://t.co/uN4XpX1mjt https://t.co/YAg9PBYuBl
Mario Barbatti @MarioBarbatti
5K Followers 1K Following Theoretical chemist and physicist Professor @univamu Senior member @InstUnivFr Head of the Light & Molecules group https://t.co/xTjlPkUqCQ
Alan Grossfield (he/h.. @agrossfield
3K Followers 865 Following Expert in biomolecular simulation and biophysics. [email protected] | [email protected] Joined Feb 2018
Justin Lemkul @JustinLemkulVT
3K Followers 742 Following Associate Professor of Biochemistry at Virginia Tech. Drude FF contributor, #compchem, simulations, and CADD. Tweets are my own. RT != endorsements. Go #Hokies!
Alexey Aleksandrov @AlexeyAleksand5
8 Followers 23 Following
Mr.Pratik Shewale (Pr.. @shewalepratik45
0 Followers 19 Following
Pengchao Zhang @Pengchao1997
100 Followers 327 Following PhD student @Tsinghua_Uni. #AI4Science, #compchem, #enhancedsampling, #MachineLearning.
Shengli (Bruce) Jiang.. @ShengliJiang
265 Followers 492 Following Postdoc @Princeton @xmwebb | PhD Zavalab @UWMadCBE | ChE, Comp Chem, AI/ML, TDA | https://t.co/clceF8LI1c | he/him
Pensé FFun @inftyCategory
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Evi Gkeka @evi_gkeka
356 Followers 277 Following Molecular modeler, #AppliedMathematics, #MolecularSimulations and #DrugDesign. Tango dancer and world traveler.
Tongnoppasiri @tongnoppas28147
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Taufiq Rahman @RahmanLab
851 Followers 761 Following small molecules enthusiast; loves ion channels; a dabbler in drawing and guitar playing, views my own
Anwesh Pandey @p_anwesh
126 Followers 612 Following Postdoc @HebrewU; papyrophiliac; tweets/replies are 'my' perspectives; i like mountains more than beaches; and i can cook!!📍🇮🇱
Hema Gopal @hemS_chemist
36 Followers 795 Following
Sayari Bhattacharya @Sayari_2000
13 Followers 75 Following BSc Physics, Jadavpur University'21 || MSc Physics, SNBNCBS'23 || JRF at SNBNCBS|| Interested in Protein🧫 Machine learning 👩🏽💻 Music🎶sports🏟️ Food🌯
Plasma-PEPSC - EuroHP.. @Plasma_PEPSC_EU
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980 Followers 3K Following Founder: Dr. Puneet Gupta (Faculty, Chemistry Department , IIT Roorkee)
Kunal Rai @krai171009
97 Followers 496 Following Computational Biophysicist, Computational Physicist , Doctoral Research Scholar at @biotech_joshi lab at @IITHyderabad
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69 Followers 196 Following Grad student, Forever Chemicals, Aspiring educator, He/Him✨
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1 Followers 57 Following
SUMAN PAL @sumanmscchem
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Krishnendu Bera @Krishnendu567
158 Followers 1K Following Research Specialist @CEITEC_Brno @muni_cz | MD Simulation | Enhanced Sampling | Chemoinformatics | Computational Biology
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19 Followers 240 Following Master of Molecular Biology of the Cell University of Milan (Università degli Studi di Milano Statale)
王者 @zhe_wang15743
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Arpita Srivastava (sh.. @dr_arsr_
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Shivam Pandit @ShivamPand61511
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Ngoc Phuong Dung Ho @phuongdung0209
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Michael Shirts @Michael_Shirts
2K Followers 200 Following Professor of Chemical & Biological Engineering at @CUBoulder. Molecular modeling methodology and applications with wiggling molecules. Views mine.
Justin Lemkul @JustinLemkulVT
3K Followers 742 Following Associate Professor of Biochemistry at Virginia Tech. Drude FF contributor, #compchem, simulations, and CADD. Tweets are my own. RT != endorsements. Go #Hokies!
Phil Biggin 🇪🇺 @philbiggin
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Joe Greener @jgreener64
1K Followers 776 Following Computational chemist/structural bioinformatician working on improving molecular simulation at MRC Laboratory of Molecular Biology.
Cole Group @ColeGroupNCL
3K Followers 2K Following We are a computational research group @UniofNewcastle led by #UKRIFLF Dr Danny Cole specialising in atomistic simulations in medicinal chemistry and biology.
CCPBioSim @ccpbiosim
2K Followers 146 Following The Collaborative Computational Project for Biomolecular Simulation.
ChemRxiv @ChemRxiv
29K Followers 229 Following ChemRxiv is the open preprint server for the global chemistry community. Contact us at [email protected] for assistance.
Dear colleagues, remember that it's less about the IF of the journals where you publish, and more about the quality of the peer-review we get.
A recent news article in Nature described increasing numbers of editors mass resigning from for-profit journals, a symptom of misalignment of incentives between publishers’ demand for growth and profits, and the academics’ priority of quality, depth: nature.com/articles/d4158… 1/n
Only two days left to apply for the hands-on MD workshop! Apply by Wednesday, April 24th (not Tuesday, error in the original post!)
Only a week left to apply for the 7th i-CoMSE workshop, a 5-day hands-on introduction to molecular dynamics! Apply through next Tuesday, April 24th! More information here: i-comse.org/workshops/ and apply here: docs.google.com/forms/d/e/1FAI…
Quick information gathering from chem. eng. folks out there: do you have a pchem for engineers in your curriculum? One semester, I assume (or does anyone have 2)? Do you teach it, or does the chemistry dept.? What textbook do you use?
Very interesting trends @JCIM_JCTC do you per chance collect similar information?
LiveCoMS article views & downloads are trending up! Here are some stats we just noticed, including total downloads per article. To us, these look like encouraging numbers! #compchem
@atomicromances @AnthonyC1Nash @livecomsj +1 for @livecomsj! We reference their articles in all of our online courses
At this point I had to tell students that nope, reviewers don’t see a dime for their work regardless of how much journals charge authors. Should #peerreview come with financial incentives? I asked them to come up with reasons against and in favor of paid reviewers.
@MikPavanello @CisnerosRes @SokolovLab @carimarco @OAndreussi @PaesaniLab @WilliamJGlover This sounds great, do reach out if you think it might form the basis for a @livecomsj best practices article: livecomsjournal.org/index.php/live…
Very interesting Best Practices Article regarding Lipid Membrane Simulations. And overall, awesome journal with lots of tutorials and best practices guides! #compchem #AcademicTwitter
Here's a highlight from the @livecomsj archive: Best practices for lipid membrane simulations: livecomsjournal.org/index.php/live… If you find anywhere this needs improvement or additions, please raise an issue on the GitHub repository to help the authors keep this current! #compchem
@AnthonyC1Nash I know you’ve somewhat moved out of the molecular simulation area, but @livecomsj has a whole section of best practices papers. The ones I’ve read have been really good (though I’m biased since I helped write one)
@davidlmobley @livecomsj I agree that reviews, software, and protocols have a clearer need. For others, it's indeed less obvious that the pros outweigh the cons. Will be interesting to see how the field adapts, and whether there will be many cases where people opt not to have a version of record.
Possibly the most consequential (and complicated) effect of eLIFE's new system. The combination of peer review and living/updatable papers at a scale/scope greater than e.g. @livecomsj. Lots of advantages and some additional complications.
The decision to create a version of record (VOR) is now a (optional*) step chosen by authors - not a consequence of a journal accept decision. If an author chooses not to take it, hello ‘living papers’… 4/9
@OdedRechavi Mb journals like @livecomsj and @JOSS_TheOJ are useful for discussion
@kananiparth1102 @livecomsj LiveCoMS is a great experience to publish in (I’ve done it twice), but I don’t know if it can scale because it relies entirely on volunteer staff.
Here is a nice explanation of diamond open access: x.com/livecomsj/stat…
As a reminder, LiveCoMS is "Diamond Open Access" meaning that authors (and their grants and institutions) pay nothing and articles are fully open access and free to everyone, worldwide. For many other venues, OA charges start at $2-3k and the sky is the limit.
Yannis Ioannidis president of ACM talking about #open #access science and the need for green and gold open access journals at #HLF22. Check out @JOSS_TheOJ a diamond open access option for open source software and @livecomsj for topics around Computational molecular sciences.
What true open access looks like. $3k is roughly a year of undergrad tuition fee, in a subsidized public university in India. To ask that much for processing a single article is insane.
As a reminder, LiveCoMS is "Diamond Open Access" meaning that authors (and their grants and institutions) pay nothing and articles are fully open access and free to everyone, worldwide. For many other venues, OA charges start at $2-3k and the sky is the limit.
Very excited to be able to help promote this new way of publishing unconventional papers! If you are interested in contributing a best practices, tutorial, or perpetual review paper or any of the other formats we support please get in touch! #compchem #DiamondOpenAccess
We're excited to welcome a great group of scientists to our Editorial Board! Welcome, @ProfShields @ppxasjsm @TreeEggs @arvindr_ @ColeGroupNCL and Carla Gauss! We are looking forward to gradually expanding our scope as we benefit from your expertise. livecomsjournal.org/index.php/live…
I was shocked and horrified by this image. But then I read the figure legend. Everyone who does computational stuff needs to read this best practices guide! CHECK THE DENSITY. DONT JUST USE the model! ‼️‼️‼️
Working on binding free energy calculations? Interested in preparing calculations, assessing performance, analyzing results, or assessing a study which did so? Check out our new best practices guide! livecomsjournal.org/index.php/live… #compchem Thanks to @ppxasjsm , @jchodera and others!
@livecomsj @ppxasjsm @jchodera Everyone should read this!!!!
@ColeGroupNCL @livecomsj This looks like such a healthy and effective publishing model! I would love help either as reviewer or some sort of editor assistant if you're looking for volunteers!
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