#moleculardesign search results
Ylides are typically zwitterions formed between atoms of differing electronegativity. For the first time, we propose that purely hydrocarbon ylides are possible if stereoelectronic factors are well tuned. Our paper in @angew_chem got accepted! Stay tuned! #ylides #moleculardesign
Are you using NMR to determine the structure of protein-ligand complexes ? We're happy to announce that NMR2, the method developed by Prof. Dr. Julien Orts from Vienna University, is now available in SAMSON! Learn more at documentation.samson-connect.net/predicting-pro…. #NMR #moleculardesign…
Build molecular boxes (solvents, membranes around proteins, surfaces, etc.) with this new free SAMSON extension! samson-connect.net/element/3d8237… Tutorial at documentation.samson-connect.net/molecular-box-… #moleculardesign #compchem
Design DNA origamis in SAMSON with the Adenita extension developed by Elisa De Llano and Haichao Miao ! samson-connect.net/element/dda2a0… Create your free account at samson-connect.net to get this extension. #moleculardesign #platform #dnaorigami #dna #cadd #SAMSON #compchem
Course open for registration: “Predictive Multiscale Materials Design” - June 21 - 25, 2021. Participants will learn how to construct atomically-precise products through the use of #MolecularDesign, #PredictiveModeling, and #Manufacturing. @ProfBuehlerMIT bddy.me/2UPa4yR
On 5/27 check out #LABEST21 for #USC PI Spotlight on Eun Ji Chung, whose @TheChungLab research group focuses on #MolecularDesign, #Nanomedicine, and #TissueEngineering to generate #Biomaterial strategies to address the limitations of #ClinicalSolutions.
Selection is a crucial yet challenging task in molecular design platforms. The upcoming SAMSON AI makes it possible to select using natural language! samson-connect.net #SAMSON #SAMSONAI #MolecularDesign #GPT #compchem
📢 New Special Issue Open: "Recent Advances in Molecular Computational Chemistry" warmly welcoming new submissions. ✏️ Guest edited by Prof. Dr. Weiwei Han, Prof. Dr. Lihong Hu and Dr. Juexin Wang 🔗 mdpi.com/journal/molecu… 📌 #moleculardesign #cheminformatics #datamining
Georgiy, a Laboratory Manager in the Chemistry Department, is a true mentor & passionate chemist responsible for a Team focusing on #medchem projects providing our Clients with solutions in #synthesis & #moleculardesign throughout #preclinical #drugdiscovery programs.
September 10-11: TTIC will be hosting the 2024 Midwest #ComputationalBiology Workshop! Topics include #moleculardesign, health and biological language models, and AI in biology and medicine. Learn more and register: buff.ly/4dI1fO1
Running GROMACS simulations in the cloud directly from SAMSON feels nothing short of magical. Just a few days left before the release! samson-connect.net #moleculardesign #platform #GROMACS #cloud #SAMSON
The @chiosislabmskcc at @MSKCancerCenter @MSKEducation had the honor of hosting Dr. Giorgio Colombo last Thursday for an intriguing #seminar on #proteindynamics and #moleculardesign. @lab_colombo Thank you for your visit!
📣 Attention, science enthusiasts! We just dropped a new manuscript "A Virtual and Mixed Reality Platform for Molecular Design & Drug Discovery - Nanome Version 1.24"! 🎉 Full manuscript here bit.ly/3CxsQjV #MolecularDesign #DrugDiscovery #Collaboration #MixedReality
We programmed Au₁₃ clusters to dimerize via Fe ions! Ligand design enables stable dimers with fast photoinduced charge transfer—unlocking light-responsive functions. #nanomaterials #photochemistry #moleculardesign doi.org/10.1039/D5NR00…
SAMSON 2022 R2 is out! Workspaces, Visual Presets, Selectors, etc. Learn about all the new features and improvements at s-c.io/2022r2 #moleculardesign #platform #SAMSON #compchem
NOW >10,000 DOWNLOADS!🥳👋'Graph #networks for #moleculardesign' by @rociomer3 @ChemITnerf et al @AstraZeneca @jkulinz @chalmersuniv bit.ly/3v6Esp6 #machinelearning #compchem #drugdiscovery #neuralnetworks #AI #Bioinformatics #graphs #Python #genomics #cheminformatics
NOW >16K DOWNLOADS!🥳'Graph #networks for #moleculardesign' by @rociomer3 @ChemITnerf et al @AstraZeneca @jkulinz @chalmersuniv bit.ly/3v6Esp6 #machinelearning #compchem #drugdiscovery #neuralnetworks #AI #Bioinformatics #graphs #Python #genomics #cheminformatics #HPC
How do you streamline molecule design with #MachineLearning? Kyunghyun Cho from NYU & Prescient Design walks us through a 'Lab in the Loop' approach that harmonizes computation and biology. Don't miss out! 🧪💻 #MolecularDesign #NYU @kchonyc @PrescientDesign @genentech…
💻 Keine Installation nötig: Browser öffnen, SMILES einfügen, Ergebnisse erhalten. ➡ biochemcalc.com/sfd_m?referrer…. #OnlineTools #Cheminformatics #MolecularDesign
The CoopIC project focuses on functional inorganic materials with applications in #Catalysis, #Sensors, and #MolecularDesign. #ChemistryResearch
Introducing ODesign: the first general-purpose molecular world model. Universal across proteins, RNA/DNA, small molecules & ions; generates atomic-level, physics-consistent structures. Technical report: odesign1.github.io/static/pdfs/te… #AI4Science #MolecularDesign linkedin.com/posts/odin-zha…
Explore innovation in molecular science! 🧬 Submit your research to the Journal of Computational Methods in Molecular Design. Showcase groundbreaking computational techniques shaping molecular design and drug discovery. Publish globally and enhance visibility. 🌐 #MolecularDesign
@J_A_C_S A cascade π-extension strategy has been established for the precise synthesis of PAHs through a copper-catalyzed domino carbene transfer process, enabling determinate structural control with tunable lengths #Chemtwitter #MolecularDesign #Carbene youtu.be/HOcsgrqKqCA
youtube.com
YouTube
Carbene Zipper Reaction for Cascade π-Extension
🤯 AI just leveled up its chemistry game! NVIDIA's ReaSyn can now design molecules *and* figure out how to build them. 🧪🔬 Say hello to faster drug discovery & new materials! #AIchemistry #MolecularDesign #ReaSyn #Innovation 🚀
Thanks to the interactive collaboration between Chemistry and Biology at @UNABoficial, we’re designing molecules that speak both to life and structure—bridging science and health through innovation. InterdisciplinaryScience #UNAB #MolecularDesign #Biotech #ChileScience
At @UNABoficial’s Organometallic Synthesis Lab, we design novel benzimidazole-based fluorophores and transition metal complexes (Re(I), Ru(II)) for bioimaging and cell staining. We also develop Schiff base-derived molecules with antimicrobial potential #Chemistry #Bioimaging
Made at UNAB, Santiago, Chile #Chemistry #Bioimaging #MolecularDesign #UNAB #ScientificResearch #ChileScience #Fluorophores #Organometallics #Biotech
At @UNABoficial’s Organometallic Synthesis Lab, we design novel benzimidazole-based fluorophores and transition metal complexes (Re(I), Ru(II)) for bioimaging and cell staining. We also develop Schiff base-derived molecules with antimicrobial potential #Chemistry #Bioimaging
3/ Why cationic? Because proteins in SDS-PAGE carry negative charges. Our complex binds through electrostatic and hydrophobic interactions, guided by the B2 ligand. #Electrophoresis #MolecularDesign
🌐 Conclusion: Fen-IHB stands out for its structural stability, unique electronic properties, and selective activity. A case study in rational molecular design with real-world potential. #chemistry #MolecularDesign #ChemistryWithPurpose
Visualize multiple molecules in seconds. Perfect for your organic chemistry project! 🔗 biochemcalc.com/sfd_m #Chemistry #MolecularDesign #Cheminformatics
Featured! 📰 Aurigene was covered by BioVoice News after Dr. Sunil Kumar Panigrahi’s talk on Intelligent Molecular Design: Bridging AI, Explainability & Physics-based Simulation. Read more 👉 lnkd.in/g3Aer3EC #Innovation #MolecularDesign #AI #Bioinformatics #Aurigene
Ylides are typically zwitterions formed between atoms of differing electronegativity. For the first time, we propose that purely hydrocarbon ylides are possible if stereoelectronic factors are well tuned. Our paper in @angew_chem got accepted! Stay tuned! #ylides #moleculardesign
🤯 AI just leveled up its chemistry game! NVIDIA's ReaSyn can now design molecules *and* figure out how to build them. 🧪🔬 Say hello to faster drug discovery & new materials! #AIchemistry #MolecularDesign #ReaSyn #Innovation 🚀
Are you using NMR to determine the structure of protein-ligand complexes ? We're happy to announce that NMR2, the method developed by Prof. Dr. Julien Orts from Vienna University, is now available in SAMSON! Learn more at documentation.samson-connect.net/predicting-pro…. #NMR #moleculardesign…
Explore innovation in molecular science! 🧬 Submit your research to the Journal of Computational Methods in Molecular Design. Showcase groundbreaking computational techniques shaping molecular design and drug discovery. Publish globally and enhance visibility. 🌐 #MolecularDesign
Course open for registration: “Predictive Multiscale Materials Design” - June 21 - 25, 2021. Participants will learn how to construct atomically-precise products through the use of #MolecularDesign, #PredictiveModeling, and #Manufacturing. @ProfBuehlerMIT bddy.me/2UPa4yR
📢 New Special Issue Open: "Recent Advances in Molecular Computational Chemistry" warmly welcoming new submissions. ✏️ Guest edited by Prof. Dr. Weiwei Han, Prof. Dr. Lihong Hu and Dr. Juexin Wang 🔗 mdpi.com/journal/molecu… 📌 #moleculardesign #cheminformatics #datamining
On 5/27 check out #LABEST21 for #USC PI Spotlight on Eun Ji Chung, whose @TheChungLab research group focuses on #MolecularDesign, #Nanomedicine, and #TissueEngineering to generate #Biomaterial strategies to address the limitations of #ClinicalSolutions.
The @chiosislabmskcc at @MSKCancerCenter @MSKEducation had the honor of hosting Dr. Giorgio Colombo last Thursday for an intriguing #seminar on #proteindynamics and #moleculardesign. @lab_colombo Thank you for your visit!
Design DNA origamis in SAMSON with the Adenita extension developed by Elisa De Llano and Haichao Miao ! samson-connect.net/element/dda2a0… Create your free account at samson-connect.net to get this extension. #moleculardesign #platform #dnaorigami #dna #cadd #SAMSON #compchem
📣 Attention, science enthusiasts! We just dropped a new manuscript "A Virtual and Mixed Reality Platform for Molecular Design & Drug Discovery - Nanome Version 1.24"! 🎉 Full manuscript here bit.ly/3CxsQjV #MolecularDesign #DrugDiscovery #Collaboration #MixedReality
Benchmarking Molecular Feature Attribution Methods with #ActivityCliffs #moleculardesign #ArtificialIntelligence pubs.acs.org/doi/10.1021/ac… @josejimlun @Mih4S90 @NilsWeskamp #current_issue #MachineLearning
Build molecular boxes (solvents, membranes around proteins, surfaces, etc.) with this new free SAMSON extension! samson-connect.net/element/3d8237… Tutorial at documentation.samson-connect.net/molecular-box-… #moleculardesign #compchem
Selection is a crucial yet challenging task in molecular design platforms. The upcoming SAMSON AI makes it possible to select using natural language! samson-connect.net #SAMSON #SAMSONAI #MolecularDesign #GPT #compchem
MACAW: An Accessible Tool for Molecular Embedding and Inverse #MolecularDesign #cheminformatics #drugdiscovery #drugdesign pubs.acs.org/doi/10.1021/ac… @mhgarci1 #current_issue #JCIM #Chemical_Information
Applying AI language translation to the creation of new pharmaceuticals #AI #moleculardesign bit.ly/2N7cbLF
💻 Keine Installation nötig: Browser öffnen, SMILES einfügen, Ergebnisse erhalten. ➡ biochemcalc.com/sfd_m?referrer…. #OnlineTools #Cheminformatics #MolecularDesign
Georgiy, a Laboratory Manager in the Chemistry Department, is a true mentor & passionate chemist responsible for a Team focusing on #medchem projects providing our Clients with solutions in #synthesis & #moleculardesign throughout #preclinical #drugdiscovery programs.
📢 New Special Issue Open for Submissions: Molecular Photothermal Agents from Design to Applications ✏️ Guest edited by Dr. Franck Camerel from University of Rennes in France 🔗 mdpi.com/journal/molecu… 📌 #PhotothermalEffect #MolecularDesign #OrganicChemistry
Are you ready to hear about #sustainableproducts through #moleculardesign? Join us in Portland, OR at GC&E to learn from our distinguished speakers. @ACSGCI @UWDEOHSCE @BryanWBrooks #MoDRN
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