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It is very sad to learn that Martin Karplus passed away on Dec 28 at age 94. He was a scholar and pioneering chemical physicist with great contributions in many areas including molecular dynamics. We interacted many times starting from my graduate time at Harvard. His legacy is reinforced by the large number of coworkers who have also done much to advance computational science.
🟦 During the promotion event you can access all three search modes of infiniSee xREAL for free! Enough time to test its capacities in your projects. 🟦 Get a 10% on all compounds retrieved from xREAL till November 30.
Access 2.4 trillion of drug-like molecules with infiniSee xREAL! We are excited to release the terminal to Enamine Ltd. largest compound catalog that efficient mines the most relevant molecules based on the needs of the drug discovery project. Enter xREAL: biosolveit.de/products/infin…
We have an exclusive launch offer to share! No commitment, no strings attached. Just pure, unfiltered access to trillions of compounds for 3 Months! Don't miss out on this limited-time opportunity! ⌛ biosolveit.de/2024/08/27/inf…
Launch promotion: 🟦 Access to all three search modes during the event 🟦 Discount on all compounds retrieved from the xREAL Space
BioSolveIT and @EnamineLtd are excited to announce infiniSee xREAL: Your access point to the largest catalog of drug-like compounds. 🟦 Exclusive access 🟦 2.4 trillions of compounds 🟦 Screen from your own hardware biosolveit.de/products/infin…
You will also have the chance to engage with industry professionals and other participants at the Happy Hour to unwind and exchange perspectives during networking. There is also a possibility to participate virtually if you want to tune in from somewhere else.
Amount of available in-person seats is limited, so please be fast to register! Register following the link 🔺
BioSolveIT x eMolecules workshop in Boston (September 25, 2024) on: 🔹 1️⃣ Kinase inhibitor design 🔹 2️⃣ Fragment-based drug discovery 🔹 3️⃣ Scaffold hopping 🔹 4️⃣ PROTACs 🔹 5️⃣ Chemical Space Docking™ biosolveit.de/2024/08/12/exp… #compchem #medchem #FBDD
New guest, new challenge: Episode #2 of "What The Drug!?" is coming up! Let's see how much we can achieve this time and leap into yet maybe unexplored drug discovery areas. Save-the-date: Wed, 14 Aug 2024, 16:00 CEST (Berlin) Register following the link 🔻 biosolveit.de/webinar/drug-d…
‼️ Important announcement: The beta testing stage for Chemical Space Docking ends August 31st, 2024 ‼️ Chemical Space Docking allows you to perform efficient, in-house hit candidate assessment of billions or even trillions on your own hardware. biosolveit.de/2024/07/19/dea…
The increasing interest in designing drugs that covalently bind to their target can hardly be neglected. This spreadsheet features 36 of the most common covalent warheads used in medicinal chemistry as well as their bound form after transformation. SeeSAR: biosolveit.de/download/?prod…
Our next webinar highlights the new features of the most recent release of the drug discovery software platforms SeeSAR and infiniSee. We will talk about sophisticated covalent docking, Chemical Space exploration and much more. July 11 4pm Berlin Time biosolveit.de/webinar/new-fe…
Here is your quick rundown on the just-released infiniSee 6.1 update: 🟦 R group search in the Motif Matcher 🟦 Generation of ad hoc libraries 🟦 Support of semi-metals (Ge, As, Sb, Te) 🟦 Distinct similarity columns in the Analyzer Mode 🟦 And many more biosolveit.de/2024/06/24/r-g…
The library is offered free-of-charge on our website and can be used right after download in SeeSAR or the command-line version of FastGrow.
A powerhouse for kinase inhibitor design: We are proud to release a fragment growing library containing over 51k potential hinge binder motifs. biosolveit.de/2024/06/24/new… #compchem #medchem #drugdiscovery #drugdesign #CADD
Derived from our validated set, users now have access to the most diverse catalog of anchoring fragments for ideation and optimization. Use cases involve sampling of motif replacements, improvement of ADME properties and screening for 3D guided scaffold hops for novel IPs.
The most sophisticated covalent docking out there features convenient transformation of 36 most commonly used warheads in drug discovery. Read more about the covered warheads, handling of stereochemistry and available customization 🔻 biosolveit.de/2024/06/20/cov… #compchem #medchem
Gazing at ML-193, a GPR55 antagonist: This GPCR ligand displays nanomolar inhibition with an improved selectivity profile over other related receptors. Furthermore, a total of three Chemical Spaces feature ML-193 as an exact match, among other relevant compounds in the remaining.
JCIM & JCTC Journals @JCIM_JCTC
10K Followers 983 Following Tweets from Journal of Chemical Information and Modeling (JCIM) and Journal of Chemical Theory and Computation (JCTC) from @ACSPublications
Olexandr Isayev 🇺�... @olexandr
10K Followers 4K Following #CompChem Prof @CMU_Chem. Connecting chemical sciences with AI & #MachineLearning. #tarheels fan. Care:#design, #photography #Ukraine #cats🐈 Rants are mine
Enamine Ltd 🇺🇦 @EnamineLtd
5K Followers 2K Following Integrated Drug Discovery Contract Research Organization Supporting #pharma companies and #academic institutions with innovative #chemistry since 1991👨🏻🔬
Peter Kenny 🇹🇹�... @pwk2013
2K Followers 552 Following Slayer of soucouyants (and metrics), MSF supporter, aspiring citizen of the world
Marwin Segler @marwinsegler
4K Followers 2K Following Dadx2, Machine Learning, {Org, Med, Comp} Chem, AI-assisted Scientific Discovery & Creativity, Music. @ELLISforEurope Scholar. @MSFTResearch AI for Science
Ariane Nunes Alves @anunesalves
5K Followers 3K Following Computational Biochemist | Lead Researcher @CNPEM | Associate Editor @jcim_jctc | 🇧🇷 #CompChem (ligand binding kinetics, crowding)
Daniel Probst @skepte... @skepteis
10K Followers 3K Following Computer science × bioinformatics × cheminformatics. Ass. prof. @ WUR. Interested in all the sciences. Materialist. Fan of cats, Punk Rock, and Hockey.
Philippe Schwaller (h... @pschwllr
5K Followers 3K Following Tenure-Track Assistant Professor of Digital Chemistry at @EPFL with @SchwallerGroup | @NCCR_Catalysis | prev @IBMResearch @forRXN | ML/AI-accelerated Chemistry
Alexey Orlov @AlexeyAOrlov
416 Followers 1K Following Charting low-dimensional manifolds of chemistry with #AI. PhD in #MedChem | Asst. Prof. in #Cheminformatics @ UniStra |Opinions = my own
Nadine Schneider @foo_fighterin
370 Followers 160 Following Scientist, cheminformatics, data science. Views are my own.
John Chodera (he/him) @jchodera
9K Followers 7K 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
Soetsu Shida @soetsu_shida
8 Followers 33 Following Undergraduate 2nd｜🧠⚙️｜Biohybridrobotics｜Brain Computer Interface ｜💊💻｜Insilico Drug Discovery｜De novo Molecular Design｜@bloodorange2138
xionghao li @Xionghao_Li
0 Followers 69 Following
sswjiosjdkl @s44485692
6 Followers 155 Following
Mentor Program EU @mentor_program_
37 Followers 43 Following #MSCA #DoctoralNetwork MENTOR - Metabolic control of cell growth by mTOR in health and disease: a multi-disciplinary training.
Yakubu Dawuda @Dawuda9Yakubu
113 Followers 4K Following I am Yakubu Dawuda. A primary school teacher with 22 years of teaching experience.
Stefan Heindorf @StefanHeindorf
213 Followers 730 Following Research Group Leader - Explainable Artificial Intelligence
Ruth @ButechewshGEH
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Flawnor @FlawnorUTwe4
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Abdurrahman Olğaç @aolgac_evias
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Renato Freitas @renffreitas
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Kelvin Zhang @kelvin_zha62939
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Paulina Szymczak @szymczak_pau
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Inalegwu Onjefu @IOnjefu95245
2 Followers 186 Following
Fatou Fofana @FofanaFato6726
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ChemicLu @iiiiris_lu
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hom @platinhom666
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Mpessee @MpesseeNBoMj
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Thaushe @Thausher_Z
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Debajyoti De @debajyoti_de
102 Followers 656 Following Postdoctoral Fellow at University of Birmingham/Biomolecular NMR/Spectroscopy/Biophysics
Rudraa Singh Rajpoot @HariomRudraa
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Biospherea @BiosphereAfrica
291 Followers 60 Following Nurturing the workforce for the future of Bioscience in Africa through a platform that fosters learning, collaboration, and career advancement.
Kortney Melancon, PhD @kmelancon_phd
49 Followers 209 Following Computational Chemist ⚛️ • Drug Hunter 👩🏻💻 • Science Communicator ✍🏼 • Happiest when camping 🏕️
Mahesh Patil @drmahesh_patil
1 Followers 57 Following Entrepreneurship : My post are only my opinion and not to affect others, not for influence and against any other person or opinion
Durgesh Bidye @durgeshbidye
1 Followers 317 Following Ph.D Research Scholar at Dept. of Pharmaceutical Chemistry, JSS College of Pharmacy, Mysuru-570015, Karnataka, India.
stepheneeel @stephleeeelll
231 Followers 3K Following
Martin T @huiqiong1995
151 Followers 2K Following Biophysicist | Builder 💼：AI for Science & S4AI 🧑💻：Product Engineer — AI & Molecular Simulation Platform Nothing is final | Do the right thing
Andrea Benediktsdotti... @AndreaBenedikt1
96 Followers 302 Following Postdoctoral Fellow - The Wright Lab @McMasterUniversity
Horticulture Research @Hortres
4K Followers 3K Following Horticulture Research is an open access international journal devoted to publishing original research results and reviews on the best research in the field.
Esteban Dodero-Rojas @edoderorojas
48 Followers 91 Following Theoretical-Computational Biophysics PhD Candidate SSBP - Rice University
Surya Venkatesan @suryavenkatsn
87 Followers 201 Following Principal Scientist - Computational Chemistry @ Bugworks Research Inc.
@wzx123 @wzx123465
0 Followers 2 Following
Anton Sameera Perera @AntonSPerera
247 Followers 849 Following Child of God ✝️ | Proud Sri Lankan 🇱🇰 | PhD in Chemistry, University of Kentucky | Computational Chemist | Kentucky Wildcat 😼💙🤍 #compchem #BBN
Rita Guedes @rguedes_ulisboa
85 Followers 273 Following
Jie Yin @jyintiso
41 Followers 447 Following
Filipe Estrada @filipegaestrada
13 Followers 158 Following
jincai @jincai42
0 Followers 41 Following
Anwesha Das @AD_anwesha
210 Followers 5K Following
Mohammad Banazadeh @mbscientist1994
340 Followers 4K Following I am a Research Assistant at Kerman University of Medical Sciences. I perform research in different fields from neuroscience to bioinformatics.
Inken Körber @inksu_1
1 Followers 39 Following
Dr. KIRAN LOKHANDE @jivkiran007
143 Followers 611 Following Structural Bioinformatics, Drug Design and Discovery, Molecular Dynamic Simulations, Umbrella Sampling
Andrew @ChemKhairulin
4 Followers 122 Following
Jozef Fulop @dodes24
62 Followers 996 Following Computational Drug Discovery Researcher at UCT Prague | PhD student in Bioinformatics & Cheminformatics | AI for drug development |
Ramon Cogo @RamonCogo
16 Followers 264 Following
Abhishek Singh @now7x
218 Followers 5K Following startup generalist • storyteller • writings at https://t.co/J5CfSvGNZg
Mykyta @MykytaPrud
26 Followers 85 Following 🧪 MSc Computational chemistry & molecular design 💻 #medicinal_chemistry #drug_design #molecular_dynamic
FBLD Conference @FBLDconference
15 Followers 37 Following
Wenhao Gao @WenhaoGao1
1K Followers 1K Following Researcher in AI, Chemistry, and Molecular design, Incoming Assistant Prof @Penn | Postdoc @Stanford | Previously @MIT @JohnsHopkins @PKU1898.
JCIM & JCTC Journals @JCIM_JCTC
10K Followers 983 Following Tweets from Journal of Chemical Information and Modeling (JCIM) and Journal of Chemical Theory and Computation (JCTC) from @ACSPublications
Jan Jensen (janhjense... @janhjensen
9K Followers 599 Following Computational chemist at the University of Copenhagen. PChem Editor-in-Chief @PeerJChemistry. #compchem
Patrick Walters @wpwalters
6K Followers 375 Following cheminformatics, machine learning, drug discovery, opinions
Enamine Ltd 🇺🇦 @EnamineLtd
5K Followers 2K Following Integrated Drug Discovery Contract Research Organization Supporting #pharma companies and #academic institutions with innovative #chemistry since 1991👨🏻🔬
Peter Kenny 🇹🇹�... @pwk2013
2K Followers 552 Following Slayer of soucouyants (and metrics), MSF supporter, aspiring citizen of the world
Darryl B McConnell @D_B_McConnell
9K Followers 376 Following drug discoverer, medicinal chemist, wannaberunner, wannabeartist, builder of ponds and webmaster
Daniel Probst @skepte... @skepteis
10K Followers 3K Following Computer science × bioinformatics × cheminformatics. Ass. prof. @ WUR. Interested in all the sciences. Materialist. Fan of cats, Punk Rock, and Hockey.
Francesca Grisoni @fra_grisoni
4K Followers 908 Following Associate Prof. #AI for drug discovery | Leading @molecularML at @TUeindhoven & @ICMStue | @ELLISforEurope Scholar | Previously @ETH & @unimib | she/her 🏳️🌈
ChemEurJ: Chemistry -... @ChemEurJ
62K Followers 1K Following A Multidisciplinary Chemistry Journal - The heart of the Chemistry Europe @ChemEurope portfolio (https://t.co/42j8T8Mpwl)
Angewandte Chemie @angew_chem
114K Followers 3K Following Angewandte Chemie, a journal of the German Chemical Society (GDCh, @GDCh_aktuell) - a leading journal in #chemistry published by @WileyGlobal in @Weinheim
Chemjobber @Chemjobber
45K Followers 5K Following 1. A blog 2. Towards a quantitative understanding of the quality of the chemistry job market | #chemjobs: permanent industry/academia, #chempostdoc: postdocs
J. Am. Chem. Soc. @J_A_C_S
188K Followers 10K Following Research, news, and information from the Journal of the American Chemical Society.
Journal of Cheminform... @jcheminf
3K Followers 18 Following Tweets from Editors-in-Chiefs Rajarshi Guha & Barbara Zdrazil & Publishing Editor Maggie Zhang.
Chris Swain @macinchem
2K Followers 314 Following
⌬Nessa Carson @SuperScienceGrl
16K Followers 3K Following Digital chemist | "Aggressively sciency'' | Buchwald-Hartwig = best reaction | Making lab science faster and better | She/her
London Lab @london_lab
4K Followers 664 Following A computational and chemical biology lab at the Weizmann Institute of Science.
ChemistryViews @ChemistryViews
34K Followers 298 Following https://t.co/ifdWjQOYNg is the science magazine of @ChemEurope 🇪🇺 🦆 #chemquackers 👩🔬 #guessthechemist Impressum: https://t.co/qTsQxDz0Jj
Dennis X. Hu @DennisWhom
4K Followers 716 Following founder & CEO @drughuntersite after drug discovery in pharma/biotech (Genentech, RAPT Therapeutics) - discover faster in two min at https://t.co/lyNyXN7Pof
Philippe Schwaller (h... @pschwllr
5K Followers 3K Following Tenure-Track Assistant Professor of Digital Chemistry at @EPFL with @SchwallerGroup | @NCCR_Catalysis | prev @IBMResearch @forRXN | ML/AI-accelerated Chemistry
RDKit @RDKit_org
3K Followers 2 Following no longer active here @[email protected] @rdkit.bsky.social
Biospherea @BiosphereAfrica
291 Followers 60 Following Nurturing the workforce for the future of Bioscience in Africa through a platform that fosters learning, collaboration, and career advancement.
Peter Ertl @peter_ertl
1K Followers 53 Following Leading Scientist at Novartis - #cheminformatics #CompChem #MedChem #birding
Gerit Brandenburg @JGBrandenburg
2K Followers 845 Following 🎬 Director for #Digital #Chemistry @merckgroup 🚀 Founder and CEO @quastify 🏐 Volleyball coach 🏳️🌈 he/him 🇪🇺
Antibiotikaforschung ... @Helmholtz_HIPS
1K Followers 591 Following Das Helmholtz-Institut für Pharmazeutische Forschung Saarland ist nicht mehr bei Twitter/X aktiv. Aktuelle Infos findet ihr auf unserer Website.
Gwenaëlle JÉZÉQUEL @GwenalleJZQUEL1
310 Followers 1K Following Assistant Prof. at Toulouse University. Interested in medicinal chemistry, pharmacology, total synthesis and biochemistry bluesky: https://t.co/9PS2RuEuwT
HZB-MXde @HzbMxde
319 Followers 30 Following Macromolecular crystallography group operating BL 14.1, 14.2 and 14.3 at BESSY II synchrotron lightsource; part of @HZBde https://t.co/GrxoSOSjrd
Qubit Pharmaceuticals @qubit_pharma
1K Followers 156 Following Bringing unparalleled #accuracy and precision to #drugdiscovery and design, using #quantumphysics to develop life-changing treatments for major diseases.
Quentin Perron @perron_quentin
2 Followers 0 Following
Connor W. Coley @cwcoley
6K Followers 966 Following Assistant Professor @MITChemE & @MITEECS | ChE, Chem, AI/ML, etc. for accelerating molecular synthesis and discovery | https://t.co/cAcVl8CjqR | he/him
Léa El Khoury @elkhoury_lea
210 Followers 416 Following Ph.D • Group Leader - Computational Chemistry @qubit_pharma • Former Postdoc in the Mobley group @UCIrvine • Alumna of @Sorbonne_Univ_ @PiquemalGroup @USJLiban
OpenBench @opnbnch
146 Followers 159 Following Results-driven molecular discovery https://t.co/TdZ7cimF0p
NextMove Software @nmsoftware
1K Followers 15 Following Innovative software for difficult problems: chemical text-mining, ELN analysis, reaction naming, biological structure perception, and more!
ACS Division of Medic... @AcsMedi
3K Followers 90 Following The Medicinal Chemistry Division of the American Chemical Society is a professional association for those interested in drug discovery.
Ruth Brenk @BrenkRuth
282 Followers 101 Following Pharmacist, professor, structure-based drug design, antibiotics, riboswitches, alert citizen. My tweets are my own.
BenevolentAI @benevolent_ai
8K Followers 567 Following Accelerate scientific breakthroughs with AI Hiring: #London
Rutter Lab @RutterLab
9K Followers 676 Following Official Rutter Lab Twitter | @UUtah | @HHMINEWS | #MitoMonday | #Mitochondria, #Metabolism & other cool stuff. Jared's tweets are signed -JR. Views are ours
Emanuel Ehmki @esrehmki
717 Followers 1K Following Chemist / computational chemistry / chem(o)informatics and statistics enthusiast
Nature Reviews Drug D... @NatRevDrugDisc
44K Followers 470 Following Editorial team of Nature Reviews Drug Discovery.
William L. Jorgensen @JorgensenWL
6K Followers 819 Following Chemistry Prof @ Yale; founding Editor JCTC; OPLS, TIPnP, FEP, Drug Design
涂潇 @Tu_Xiao_2021
6 Followers 128 Following
Fabian Kern 🦋 @fab... @fabiankern13
383 Followers 687 Following #Bioinformatics & #DataScience 👨🏻💻 University of Hamburg - Follow me at https://t.co/qz7QAN1WrQ
Franca @Franca_klg
104 Followers 108 Following
Dusan Petrovic @thisisdusan
161 Followers 161 Following Amateur 🏃and ☕️ lover. Computational chemist. Heading Digital Life Sciences at NUVISAN Innovation Campus Berlin. Views my own. 🏳️🌈
Actym Therapeutics @ActymT
87 Followers 57 Following
Noveome Biotherapeuti... @NoveomePgh
106 Followers 63 Following Biopharma company in clinical-stages developing next-generation biologics for the promotion and restoration of cellular integrity of inflamed or damaged tissues
CuraSen Therapeutics @curaseninc
59 Followers 60 Following CuraSen’s mission and passion is to create innovative drugs to improve the quality of life for people with CNS and neurodegenerative diseases.
Spirovant Sciences @spirovant
104 Followers 8 Following Spirovant Sciences is developing novel gene therapies for cystic fibrosis and other pulmonary diseases.
Ensysce Biosciences @EnsysceBio
397 Followers 147 Following Ensysce, a clinical-stage biotech, developing a new class of drugs to provide patients & prescribers safer options designed to reduce abuse & prevent overdose.
Viriom @ViriomInc
28 Followers 60 Following
Senesco Technologies @Senesco
100 Followers 530 Following Senesco Technologies is a clinical-stage biotech company specializing in cancer therapeutics. $SNTI
Viking Therapeutics @Viking_VKTX
5K Followers 0 Following Novel therapeutics for metabolic and endocrine disorders
Bayer | Pharmaceutica... @BayerPharma
156K Followers 867 Following The global pharmaceutical division of @Bayer. Data Privacy / Imprint: https://t.co/gfMuyBhmi1
Fierce Pharma Marketi... @FiercePharmaMkt
23K Followers 1K Following Empowering pharma marketers and life sciences professionals with go-to- market strategies and industry insights
Eli Lilly and Company @EliLillyandCo
144K Followers 1K Following Uniting caring with discovery to create medicines that make life better worldwide. Lilly’s official account (formerly LillyPad) https://t.co/oXewUD8FZI
Rare Disease Day @rarediseaseday
42K Followers 3K Following 28 February 2027 is Rare Disease Day. Raising awareness for patients, families and carers around the world that are impacted by rare diseases. #RareDiseaseDay
Travere Therapeutics @TravereRare
679 Followers 172 Following Our mission is to identify, develop and deliver life-changing therapies to people living with rare disease. #InRareForLife https://t.co/uEe4xuJzww
Cidara Therapeutics @CidaraThera
8K Followers 145 Following Using our Cloudbreak® platform to develop drug-Fc conjugate (DFC) #immunotherapies to improve the standard of care for #cancer and other serious diseases
Crinetics Pharmaceuti... @Crinetics
1K Followers 521 Following Driving the next generation of endocrinology care. See our social community guidelines: https://t.co/ncgkUbzCVF
Origami Therapeutics,... @OrigamiTX
290 Followers 445 Following Developing curative medicines for neurodegenerative diseases
Boehringer Ingelheim @Boehringer
103K Followers 3K Following Science for a healthier tomorrow. Medical innovation for people and animals. #LifeForward Community Guidelines: https://t.co/d5aGI1ZS8e
Sanofi US @SanofiUS
80K Followers 6K Following An R&D driven, AI-powered biopharma company committed to improving lives. For U.S. residents only. Interactions must comply with terms: https://t.co/D3HnfO1Ymt
Roche @Roche
238K Followers 221 Following We advance science so that we all have more time with the people we love. Read our community guidelines: https://t.co/7k1HdbdrYL
GSK @GSK
234K Followers 702 Following We are uniting science, technology and talent to get ahead of disease together. Our community guidelines: https://t.co/NdSNH7YPuKTrends for United States
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