Andrea Bortolato (@andreab041) profile picture

Andrea Bortolato

@andreab041

scientist (computational chemist)

 United States
Joined January 2014
  • Tweets203
  • Following70
  • Followers113
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Photo by Andrea Bortolato (@andreab041)Photo by Andrea Bortolato (@andreab041)Photo by Andrea Bortolato (@andreab041)
It is my pleasure to announce the fruits of a great collaboration with people at @SandboxAQ A diffusion model, end to end differentiable, optimizing many functions at once. In this example, we optimized binding affinity and synthetic accessibility. arxiv.org/abs/2405.11785.
Guided Multi-objective Generative AI to Enhance Structure-based Drug Design

Guided Multi-objective Generative AI to Enhance Structure-based Drug Design

Generative AI has the potential to revolutionize drug discovery. Yet, despite recent advances in deep learning, existing models cannot generate molecules that satisfy all desired physicochemical...

arxiv.org
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On Ternary Complex Stability in Protein Degradation: In Silico Molecular Glue Binding Affinity Calculations pubs.acs.org/doi/10.1021/acs… @andreab041 Vol63 Issue8 #JCIM #compchem
Image from JCIM & JCTC Journals (@JCIM_JCTC)
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Venice always beautiful from the plane! You can see il campanile di San Marco 🙂
Image from Andrea Bortolato (@andreab041)
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#ProtoCaller: Robust Automation of #Binding Free Energy Calculations pubs.acs.org/doi/10.1021/acs… @msuruzhon @ns_tharindu #Current_issue #Application_note
Image from JCIM & JCTC Journals (@JCIM_JCTC)
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Andrea Bortolato retweeted
Ana Fernandez-Sesma (@SesmaLab) profile picture
Ana Fernandez-Sesma@SesmaLab11 Mar 2020
Watch the trend of countries like France, Spain and Germany at the end of the video. This is where we are. #FlattenTheCurve
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If proteins were cats, the extended edition - my entry in the Art of Science Image Contest at #bps20, featuring the transport cycle of bile acid symporter ASBT. Check it, and all the other great entries, out in the Exhibit Hall, and remember to vote for your favourite!
Image from Fiona Naughton (@ExplainedByCats)
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Mathieu Rappas (@matrappas) profile picture
Mathieu Rappas@matrappas9 Jan 2020
nature.com/articles/s41586-0…
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FierceBiotech (@FierceBiotech) profile picture
FierceBiotech
@FierceBiotech15 Oct 2019
In total, around 270 employees will be hit, with two-thirds of staff moving over to “a new location within the local area” while neuroscience research will move over to its home in the U.S: fiercebiotech.com/biotech/el…
Eli Lilly to shutter neuroscience R&D center next year

Eli Lilly to shutter neuroscience R&D center next year

Eli Lilly is closing down its U.K.-based Erl Wood neuroscience center in Surrey, leading to cuts and relocations. | Eli Lilly is closing down its U.K.-based Erl Wood neuroscience in Surrey, leading...

fiercebiotech.com
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Andrea Bortolato retweeted
JCIM & JCTC Journals (@JCIM_JCTC) profile picture
JCIM & JCTC Journals@JCIM_JCTC4 Oct 2019
Reaction-Based Enumeration, Active Learning, and Free Energy Calculations To Rapidly Explore Synthetically Tractable #Chemical Space and Optimize Potency of Cyclin-Dependent Kinase 2 #Inhibitors pubs.acs.org/doi/10.1021/acs… @pieperb @karl_leswing @andreab041 #Curr_issue #Comp_chem
Image from JCIM & JCTC Journals (@JCIM_JCTC)
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TechCrunch (@TechCrunch) profile picture
TechCrunch
@TechCrunch9 Aug 2019
Biotech researchers venture into the wild to start their own business tcrn.ch/2YD8tjY
Image from TechCrunch (@TechCrunch)
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Veronika Romashkina (@vrom911) profile picture
Veronika Romashkina@vrom9116 May 2019
StackOverflow language popularity through the years
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Shahar Sukenik (@shaharsu) profile picture
Shahar Sukenik@shaharsu6 Apr 2019
Did you ever try edplaining fourier transform to someone? Don't bother. Direct them here. It's amazing. jezzamon.com/fourier/index.h…
An Interactive Introduction to Fourier Transforms

An Interactive Introduction to Fourier Transforms

Fourier transforms are a tool used in a whole bunch of different things. This is a explanation of what a Fourier transform does, and some different ways it can be useful.

jezzamon.com
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Marta Filizola (@martafilizola) profile picture
Marta Filizola@martafilizola5 Apr 2019
The Price for ‘Predatory’ Publishing? $50 Million nyti.ms/2OKWGI2
The Price for ‘Predatory’ Publishing? $50 Million (Published 2019)

The Price for ‘Predatory’ Publishing? $50 Million (Published 2019)

The Federal Trade Commission accused Omics International, a publisher in India, of operating hundreds of questionable scientific journals. A federal judge agreed.

nytimes.com
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Nathan Brown (@nathanbroon) profile picture
Nathan Brown@nathanbroon17 Jan 2019
Exciting new opportunity in my team @benevolent_ai in London for a #Chemoinformatics Data Scientist: benevolent.ai/career-open-po… #ChemJobs #RealTimeChem #Cheminformatics #DataScience #MachineLearning #ArtificialIntelligence #ML #AI
BenevolentAI | AI Drug Discovery | AI Pharma

BenevolentAI | AI Drug Discovery | AI Pharma

BenevolentAI (Euronext Amsterdam: BAI), a leader in applying advanced AI to accelerate biopharma drug discovery.

benevolent.com
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Demystifying industry–academia collaboration go.nature.com/2Cq7Jkb - a systematic analysis of the challenges and advice on how to make such collaborations more effective
Image from Nature Reviews Drug Discovery (@NatRevDrugDisc)
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Twitter says is #MyTwitterAnniversary ...
Image from Andrea Bortolato (@andreab041)
Andrea Bortolato retweeted
FierceBiotech (@FierceBiotech) profile picture
FierceBiotech
@FierceBiotech3 Jan 2019
Celgene brings some innovation to BMS’s pipeline, most notably with two CAR-T engineered cell treatments for cancer in the near-term pipeline: fiercepharma.com/pharma/bris…
Bristol-Myers scores first big deal of 2019 with $74B buyout of oncology bigwig Celgene

Bristol-Myers scores first big deal of 2019 with $74B buyout of oncology bigwig Celgene

The long-predicted deal-making boom in Big Pharma started with a bang on Wednesday, as Bristol-Myers Squibb announced it will buy Celgene in a cash and stock transac | The long-predicted deal-making...

fiercepharma.com
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Luke Timmerman (@ldtimmerman) profile picture
Luke Timmerman@ldtimmerman2 Jan 2019
From @Merck Fast Track to Computational Chemistry Frontier: Listen to Karen Akinsanya, chief biomedical scientist @Schrodinger, on The Long Run. timmermanreport.com/2019/01/…

From Merck Fast Track to Computer Chem Frontier: Karen Akinsanya on The Long Run - TimmermanRepor...

Today’s guest on The Long Run is Karen Akinsanya. Karen is the chief biomedical scientist at Schrodinger. The New York-based company is a leader in computational chemistry for drug discovery. The...

timmermanreport.com
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Giselle Wiggin (@gisellewiggin) profile picture
Giselle Wiggin@gisellewiggin27 Dec 2018
cell.com/structure/fulltext/…
Crystal Structure of CC Chemokine Receptor 2A in Complex with an Orthosteric Antagonist Provides...

Crystal Structure of CC Chemokine Receptor 2A in Complex with an Orthosteric Antagonist Provides...

Two independent structures of CCR2A in complex with the orthosteric antagonist MK-0812 were solved, confirming the importance of residue E2917.39 for antagonist binding. Structural modeling of...

cell.com
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Relay Therapeutics (@Relay_Tx) profile picture
Relay Therapeutics
@Relay_Tx20 Dec 2018
We're thrilled to announce we've secured $400M in our Series C financing! #discoverrelay #fundraise businesswire.com/news/home/2…
Image from Relay Therapeutics (@Relay_Tx)
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