@ForliLab

Molecular Modeling & Drug Design. The lab of Stefano Forli at Dept. of Integrative Structural & Computational Biology @scrippsresearch Home of the AutoDock

 La Jolla, CA (USA)
forlilab.org
Joined September 2018
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  • Following377
  • Followers938
39Media
ForliLab retweeted
Scripps Research
@scrippsresearch6 Feb 2025
Transthyretin’s structural asymmetry & “molecular breathing” drive its misfolding in ATTR—a discovery by Prof. Gabriel Lander (@LanderLab) & Prof. Jeff Kelly, published in @NatureSMB, that could inform new therapies for amyloid diseases. More: ow.ly/xCx850UVbbl
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Kudos @ForliLab!!!
JCIM & JCTC Journals@JCIM_JCTC15 Nov 2024
#HighlightOfTheWeek Cosolvent molecular dynamics are an increasingly popular form of MD simulations where small molecule cosolvents are added to the system, helping to identify cryptic and allosteric pockets in proteins. #compchem pubs.acs.org/doi/10.1021/acs…
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If you’re interested in fast sampling and flexible and automated creation of cosolvent systems with @openmm_toolkit check this out! Huge thanks to the team @je_eberhardt @diogo_stmart @manuco17 @moonii1020 @Joe_r_loeffler @ForliLab pubs.acs.org/doi/10.1021/acs… ⚛️🧬

CosolvKit: a Versatile Tool for Cosolvent MD Preparation and Analysis

Abstract. Cosolvent molecular dynamics (MDs) are an increasingly popular form of simulations where small molecule cosolvents are added to water-solvated pr

pubs.acs.org
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AlphaFold2+MD simulations = powerful insights into protein conformational ensembles, but can it capture all experimental structural variations? Great collaborative effort!! @Structure_CP @RRiccabona @OPIGlets @scrippsresearch @DTUtweet #compchem sciencedirect.com/science/ar…
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Mesoscale Explorer molstar.org/me/ Paper out !! Excellent work with @asrmoin @dsgoodsell  and @sehnaldavid doi.org/10.1002/pro.5177
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ForliLab retweeted
Scripps Research
@scrippsresearch3 Jan 2024
A new @nchembio study, led by @_chrisgparker_ alongside Jacob M. Wozniak and Weichao Li, created a high-resolution technique for finding new druggable sites for any human disease, from cancer to Alzheimer’s disease. More at: ow.ly/9NLN50Qnb7x
A protein with unknown binding sites (left), versus a protein showing high-resolution binding site mapping (right). Credit: Scripps Research

ALT A protein with unknown binding sites (left), versus a protein showing high-resolution binding site mapping (right). Credit: Scripps Research

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Sometimes you meet PIs who seem friendly but their students tell a completely different story. Talk to the students and postdocs. If the PI doesnt want you to - something is off so run to the hills. Always ask lab members about lab culture and environment. Best advice I ever got
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I was watching Lord of the Rings last night and realized there are many parallels with academia! A thread 🧵👇
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ForliLab retweeted
Solgate@Solgatetx27 Jun 2023
Congratulations to our team member @ColasClaire for the recent publication. We are proud of your dedication to advancing SLC research. #SLC #publication #prioritizeSLC #science sciencedirect.com/science/ar…
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Glad our paper is finally out. Thanks to the BrooksGroup gang! Look for the pyCHARMM MSLD workshop coming in late July. pyCHARMM: Embedding CHARMM Functionality in a Python Framework | Journal of Chemical Theory and Computation pubs.acs.org/doi/10.1021/acs…

pyCHARMM: Embedding CHARMM Functionality in a Python Framework

Abstract. CHARMM is rich in methodology and functionality as one of the first programs addressing problems of molecular dynamics and modeling of biological

pubs.acs.org
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ForliLab retweeted
Scripps Research
@scrippsresearch18 May 2023
We are thrilled to honor our 41 newest PhD recipients at tomorrow’s #commencement ceremony. On behalf of @ScrippsGradPrgm, we invite you to join us for the ceremony livestream and hear about their journeys. Register and tune in here: education.scripps.edu/gradua…
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Carved out time to do some programming--the modular lattice nucleoid software is coming along! Added coarse-grain representations of polymerases, ribosomes and SMC, which adds a bit more detail to the connectivity. Here's a simple test with a small DNA circle.
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Great talk by @alessio_lodola on targeting the catalytic Lys745 of #EGFR as a new strategy to overcome resistance due to C797S mutation. See the published @JCIM_JCTC article, also in the cover of the issue! pubs.acs.org/doi/10.1021/acs… #SBDD23
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Ringtail: A Python Tool for Efficient Management and Storage of #VirtualScreening Results #compchem #cheminformatics pubs.acs.org/doi/10.1021/acs… @diogo_stmart @bruciaf1 @AndreasTillack @ForliLab Vol63 Issue7 #JCIM #Application_Notes
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There's three sorts of people in Drug ML: those blithely using ancient tools, those working on hyperbolic new models with garbage data, and finally those with the proprietary data to see how much worse hyperbolic new models are doing r.n. than the ancient models.
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Congratulations H. Jane Dyson of @scrippsresearch, newly inducted #NASmember! #NAS160 #biology #biophysics
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Registration is open for the 2023 NIAID HIV Structural Biology Meeting Monday, June 26th and Tuesday, June 27th at the NIH Natcher Conference Center in Bethesda, MD. Meeting Website: cvent.me/7zZ1MQ Register here: web.cvent.com/event/917cdd00…
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OPN1 team has started work on the new target protein, and shifted the focus to GPU work units. Read more here: worldcommunitygrid.org/forum…
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Do you want to work at the interface of MD simulations, structural biology experiments and #AI? We are hiring! Come to beautiful Paris for a @CNRS postdoc @institutpasteur. 2 positions are available funded by @ERC_Research. Please RT! #compchem #compbio ℹ️ research.pasteur.fr/en/job/t…
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📣 We’re looking for speakers for our next #CompChemURG annual meeting! 🗓️ Plans are underway for an event this July, with the theme “BeingCompChemURG: Mentorship Matters” ✉️ Interested in taking part or know someone who might be? DM us!
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