Chemspace’s Post

We continue to summarize the latest updates from Chemspace! Check out our January post roundup: https://lnkd.in/eYKJV434   News & Collaborations: 1. Meet new Chemspace COO – Olena Strapak (née Tkachuk)! 2. NexMR AG and Chemspace announced the collaboration 3. Our New Biologics Supplier - Reed Biotech LTD!   #Meet_Chemspace_team: 1. Meet our Data Scientist - Serhii Hlotov   Explore New Series “Building Blocks for DEL”: 1. Part 1. Redox-Active Esters 2. Part 2. Hantzsch Esters   Building Block and Screening Compound Sets: 1. “Molecule Builder”- check out a new post about Iptacopan 2. Discover Analogs to New Biological Tool Compounds - LY3522348 #chemspace #openscience #research #science #drugdiscovery #chemicals #medicinalchemistry #drugdevelopment #chemistry #researchanddevelopment #search #chemicalindustry #science #structures

Molecules of the Month - May Edition. In this edition of Molecules of the Month, we highlight the advantages of using Virtual Library Screening within the drug discovery process. By providing access to large chemical spaces, the probability of identifying a potential hit can be greatly improved. Find out how LCC's 3D-rich, stereodefined, novel Ultra-Large Virtual Library can benefit your drug discovery efforts. Read more below 👇 #DrugDiscovery #VirtualScreening #ChemicalSpace

If you're focused on Target Identification & Validation of Novel Modalities, Day One Track 1 at Discovery US 2024 is loaded with actionable insights to propel your drug discovery efforts to the next level. 🧬 Explore Breakthrough Drug Targets: From PROTACs and molecular glues to siRNAs and radioligands, dive deep into the emerging targets revolutionizing the field. 🧪 Master Assay & Computation: Discover the latest, most powerful techniques for assaying and computing novel compounds—bringing your discoveries to life faster and more accurately. 🔍 Dominate PK/PD Predictions: Gain advanced strategies for predicting PK/PD properties, ensuring your drug development is ahead of the curve. Special thanks to our esteemed sponsors: Optibrium, Chemaxon, Pivot Park Screening Centre, Sable Bio, XtalPi Inc., and Biognosys. Don't miss out, register now: https://hubs.la/Q02MJ9FS0 #OGDiscovery #DISCOVERYUS24 #DrugDiscovery

OpenEye's advanced CSP workflow offers a well-validated approach to predicting the crystal form landscape of a molecule, helping identify alternative crystal forms (polymorphs) early in the drug development process. Join us for our upcoming webinar to explore the latest innovations in this workflow!

🌟 Join Us for an Exclusive Webinar! 🌟 Depixus is hosting a webinar on 9/10/24 (9am PT/ 12pm ET/ 6pm CET), entitled “See biology as it really happens – launch of a powerful magnetic force spectroscopy system to enable real-time study of the dynamics of individual molecular interactions at massive scale.” Depixus MAGNA One—the world’s first high-scale magnetic force spectroscopy platform—provides powerful new insights into how biomolecules interact. The technology opens the door to analyzing large numbers of individual interactions in parallel, revealing valuable details otherwise invisible to bulk measurement techniques. In this webinar, part of the MAGNA One commercial launch, Depixus’ CEO, Gordon Hamilton, will highlight this exciting new instrument system and its applications spanning fundamental research to drug discovery. In this webinar you’ll learn how their platform: 🧬Reveals biological variability in stunning detail by repeated analysis of thousands of individual interactions. 🔍 Gathers rich, detailed data from individual biomolecular interactions, revealing rare binding events often missed in bulk measurements. ⏱ Generates both kinetic & thermodynamic data. Don’t miss this chance to elevate your understanding of biomolecular interactions. Whether you’re involved in basic science, applied research, or drug development, the insights gained from Depixus MAGNA One could transform your work! Register here: https://lnkd.in/gzq-v2kx #RNATherapeutics #DrugDiscovery #Biotech #interactomics#Depixus

Amidst the bustling energy of day 3 at the Biophysical Society Annual Meeting BPS2024, the atmosphere is positively invigorating! Witnessing the vibrant scientific community come together to immerse themselves in the forefront of biophysics advancements is truly inspiring. As we hold court at Booth 918, we're not just showcasing the latest from Helix; we're engaging in enriching conversations with both familiar faces and new acquaintances. It's a joy to exchange insights, hear what excites others in the field, and explore potential collaborations that could mutually benefit us all. These are indeed exciting times for scientific innovation and collaboration! Did you know... Helix is renowned for its crystallography and structure determination services that encompass modern laboratory and analytical instrumentation, outstanding scientific expertise, and top-notch computational software packages? We go above and beyond to deliver world-class results of the highest quality to our valued clients. Your satisfaction is our ultimate goal, and at Helix, we are dedicated to providing you with the excellence you deserve. Contact us today and experience our exceptional services firsthand! (www.helixbiostructures.com) #cryoem #crystallization #crystallography #drugdiscovery #drugdesign #protein #proteins #dna #rna #antibody #antibodies #science #nature #research #bio #bionetwork #biotechnology #biotech #bioscience #biotechnologyindustry #biopharma #drugdesign #drugdevelopment #pharmaceuticals #pharma #drug #lifesciences #lifescience

Our run down of the top 10 biotech industry trends revolutionizing the life science industry is essential reading. From 3D bioprinting of human organs to AI-driven drug discovery, learn more about the key developments within biotechnology and how they are being applied to solution real world challenges. #biotech #lifesciences #AI https://lnkd.in/dGuUePZK

We've just taken a big step forward in our journey to improve scientific discovery. 🌟 Our latest instrument installation at Philochem AG is dedicated to DNA encoded library (DEL) hit validation and is now officially up and running! Our cutting-edge technology is set to redefine how researchers can approach hit validation, which means more precise data, faster results, and ultimately, more groundbreaking discoveries. But here’s where it gets even better: this isn’t just a win for lino Biotech AG — it’s a win for all of us in the scientific community. 🧬 Whether you’re working in drug discovery, biochemistry, or any related field, the advancements we’re making here could have a ripple effect across the industry. Let's spark a conversation! Drop a comment below and let’s connect over the exciting future of DEL hit validation by focal Molography. 🌍💬 #DrugDiscovery #DELTechnology #Innovation #HitValidation #Molography #BIA

Over the past several months we've been doing a lot of contract service work for structure preparation and refinement using our new DivCon (QM/MM) real space X-ray/Cryo-EM refinement engine. During that time, we've been able to determine correctly bound tautomer/protomer states, flip states, and binding modes for our clients... And we've even been able to show cases in which the original experimental structure included the incorrect ligand enantiomer (it blows me away when that happens)! Clients have used the resulting models for all manner of subsequent studies: MD, AI/ML structure prediction model training, SBDD, lead opt, and so on. But obviously these paid projects are performed under "lock and key" with NDA's and MSA's....so we can't talk about the specifics. Therefore, I thought it would be great to "poll" the community and see what public structures they would like us to explore in our "free time." This way we will choose targets that are most interesting to the most people and demonstrate the applicability of our XModeScore analyses to the community. For each chosen case, we'll publish the results (including updated structures and densities) along with our proprietary report on our website. And for those particularly interesting cases, we could even work them into a publication. In return, as a small token of our appreciation, to the makers of accepted suggestions we'll send Amazon gift cards (or make donations to the charities of their choice).

Traditionally, small molecule drug discovery teams spend 3-6 years on one program, making and testing anywhere from 1,000-5,000 molecules in a lab, and most programs fail to identify a satisfactory molecule. At Schrödinger, we are driving a paradigm shift in drug discovery by leveraging digital chemistry. In a paper published recently in Nature Communications Chemistry, we found that FEP+, one of the technologies underlying our platform, predicted protein-ligand binding affinities with accuracy approaching experimental methods, meaning the tool could confidently and reliably replace the expensive and time consuming trial-and-error methods many small molecule drug discovery teams currently use. Read our latest Extrapolations blog to learn more: https://hubs.li/Q02kckBZ0