#virtualscreening نتائج البحث

New review out! 🚀 We cover 2024–2025 trends in mining #PubChem and other public databases for #virtualscreening, plus how experimental and #compchem tools are shaping #drugdesign. Read #openaccess 👉tandfonline.com/doi/full/10.10…

🎬✨ Exciting news! New York's LGBTQ film festival is offering free virtual screenings for Arizonans. Don’t miss out! 🌈 Read more: nbcnews.com/nbc-out/out-ne… #LGBTQFilmFest #VirtualScreening #bhive

Ultrahigh-Throughput Virtual Screening Strategies against PPI Targets: A Case Study of STAT Inhibitors #VirtualScreening pubs.acs.org/doi/10.1021/ac… @bajuszdavid @keserulab #JCIM Vol65 Issue14 #PharmaceuticalModeling

Synthon-Based Strategies Exploiting Molecular Similarity and Protein–Ligand Interactions for Efficient Screening of Ultra-Large Chemical Libraries #VirtualScreening pubs.acs.org/doi/10.1021/ac… #JCIM Vol65 Issue14 #compchem

Improved Prediction of Drug–Protein Interactions through Physics-Based Few-Shot Learning #VirtualScreening pubs.acs.org/doi/10.1021/ac… #JCIM Vol65 Issue13 #Bioinformatics

Identification of New Human P2X7 Antagonists Using Ligand- and Structure-Based Virtual Screening #VirtualScreening pubs.acs.org/doi/10.1021/ac… @pallafatu #JCIM Vol65 Issue13 #PharmaceuticalModeling

📢 Learn Pharmacophore Modeling & Virtual Screening! Register here: lnkd.in/gNnssvva 🔬 Join our online live hands-on workshop on Aug 19-20, 2025 (6:30-8 PM IST). Get recordings & certificate. Limited seats! Register now! #PharmacophoreModeling #VirtualScreening

Free, fast & online: Your legs deserve to be seen. 🖥️ Take the first step toward answers—with our free, fast, and easy virtual vein screening. 👉 gulfcoastsurgeons.com/free-virtual-v… #VeinHealth #LegPain #VirtualScreening #SouthwestFlorida

Screening of V13 and Q&A: The Genocide of Gaza & the European Holocaust. Sunday, August 10 at 7:00pm EST, live virtual screening with a Q&A with director Richard C. Ledes. Tickets @KinemaHQ now: kinema.com/events/V13-Scr… #v13 #richardledes #virtualscreening #qanda #alancumming

Fruit Compounds as Source of Lead Molecules for Covid-19 Inhibitors: Insights into the Mechanisms Through Virtual Screening and Molecular Docking Read the Article here: bit.ly/3ZgidOk #COVID19 #DrugDesign #VirtualScreening #MolecularDocking #AutoDockVina #chemistry

In Silico Screening of Small Molecule Inhibitors for Amyloid-β Aggregation #MolecularDynamics #VirtualScreening pubs.acs.org/doi/10.1021/ac… #JCIM Vol65 Issue12 #compchem

⚙️ Did you know you can build advanced AI agents within the biomedical domain using the AI-Q Blueprint and the #BioNeMo Virtual Screening Blueprint? #AgenticAI #VirtualScreening

Identifying Potent Compounds Using Pairwise Consensus Methods #VirtualScreening #DrugDiscovery pubs.acs.org/doi/10.1021/ac… #JCIM Vol65 Issue11 #PharmaceuticalModeling

On the Difficulty to Rescore Hits from Ultralarge Docking Screens #virtualScreening pubs.acs.org/doi/10.1021/ac… #JCIM Vol65 Issue11 #compchem

Dual-Site Targeting by Peptide Inhibitors of the N-Terminal Domain of Hsp90: Mechanism and Design #MolecularDynamics #VirtualScreening pubs.acs.org/doi/10.1021/ac… #JCIM Vol65 Issue10 #compchem

Free, fast & online: Your legs deserve to be seen. 🖥️ Take the first step toward answers—with our free, fast, and easy virtual vein screening. 👉 gulfcoastsurgeons.com/free-virtual-v… #VeinHealth #LegPain #VirtualScreening #SouthwestFlorida

New review out! 🚀 We cover 2024–2025 trends in mining #PubChem and other public databases for #virtualscreening, plus how experimental and #compchem tools are shaping #drugdesign. Read #openaccess 👉tandfonline.com/doi/full/10.10…

📢 Learn Pharmacophore Modeling & Virtual Screening! Register here: lnkd.in/gNnssvva 🔬 Join our online live hands-on workshop on Aug 19-20, 2025 (6:30-8 PM IST). Get recordings & certificate. Limited seats! Register now! #PharmacophoreModeling #VirtualScreening

Identification of Novel CB2 Ligands through #VirtualScreening and In Vitro Evaluation #MolecularDynamics pubs.acs.org/doi/10.1021/ac… Vol63 Issue3 #JCIM #Pharmaceutical_Modeling

Marilyn Manson, PhD #VirtualScreening

Enhancing Hit Discovery in #VirtualScreening through Absolute Protein–Ligand Binding #FreeEnergy Calculations pubs.acs.org/doi/10.1021/ac… @AlexandreBeaut1 Vol63 Issue10 #JCIM #compchem

A Small Step Toward Generalizability: Training a #MachineLearning Scoring Function for Structure-Based #VirtualScreening pubs.acs.org/doi/10.1021/ac… @LucyVost @Anna_Carbery @oliverturnbull1 @nathanbroon @payeldas1011 @GrosjeanHarold @FrankvonDelft @OPIGlets Vol63 Issue10 #JCIM

Discovery of #Chemokine #CXCL12 Inhibitors by Tandem Application of #VirtualScreening and #NMRSpectrometry #drugdesign #drugdiscovery pubs.acs.org/doi/10.1021/ac… #vol62 #issue22 #JCIM #compchem

Ringtail: A Python Tool for Efficient Management and Storage of #VirtualScreening Results #compchem #cheminformatics pubs.acs.org/doi/10.1021/ac… @diogo_stmart @bruciaf1 @AndreasTillack @ForliLab Vol63 Issue7 #JCIM #Application_Notes

BEAR: A Novel #VirtualScreening Method Based on Large-Scale Bioactivity Data #cheminformatics pubs.acs.org/doi/10.1021/ac… Vol63 Issue5 #JCIM #MachineLearning #DeepLearning

🧵1⃣ Researchers at @IRBBarcelona introduce #PocketVec, a game-changing method to characterize druggable protein pockets. By using inverse #virtualscreening, PocketVec overcomes key limitations in #drugdiscovery strategies! Quick Read: cbirt.net/unveiling-drug… #Bioinformatics

Identifying Novel Inhibitors for Hepatic Organic Anion Transporting Polypeptides by Machine Learning-Based #VirtualScreening #drugdesign pubs.acs.org/doi/10.1021/ac… @ATuerkova @BongersBrandon @GJPvWesten @BZdrazil #vol62 #issue24 #JCIM #MachineLearning #DeepLearning

#MolecularDynamics Simulation-Driven Focused #VirtualScreening and Experimental Validation of Inhibitors for MTDH-SND1 Protein–Protein Interaction #compchem pubs.acs.org/doi/10.1021/ac… Vol63 Issue11 #JCIM #PharamceuticalModeling

Les comparto el abstract con el que participamos en el XXIX SYMPOSIUM “BIOINFORMATICS AND COMPUTER-AIDED DRUG DISCOVERY”. En el hicimos un #virtualscreening (filtrado) de compuestos provenientes de #plantas como posibles #antidiabéticos al inhibir la diana #Farmacológica DPP-4.

Beware of Simple Methods for Structure-Based #VirtualScreening: The Critical Importance of Broader Comparisons #compchem pubs.acs.org/doi/10.1021/ac… @KhoaTnv1993 @pjballester Vol63 Issue5 #JCIM #Viewpoints

Identification of Potent and Selective Acetylcholinesterase/Butyrylcholinesterase Inhibitors by #VirtualScreening #compchem #drugdiscovery pubs.acs.org/doi/10.1021/ac… Vol63 Issue8 #JCIM #MachineLearning #deeplearning

Apo2ph4: A Versatile Workflow for the Generation of Receptor-based #Pharmacophore Models for #VirtualScreening #copmchem pubs.acs.org/doi/10.1021/ac… @garifulinaalex Vol63 Issue1 #JCIM #Chemical_Information

In our new blog we discuss how #AI technologies transform key in silico techniques like #virtualscreening, #moleculardocking, and #moleculardynamics simulations. Read the blog here. blog.biostrand.be/transforming-i… #BioStrandBlogs $IPA

Fruit Compounds as Source of Lead Molecules for Covid-19 Inhibitors: Insights into the Mechanisms Through Virtual Screening and Molecular Docking Read the Article here: bit.ly/3ZgidOk #COVID19 #DrugDesign #VirtualScreening #MolecularDocking #AutoDockVina #chemistry

🌍 Join us as we embark on a virtual journey to celebrate Earth Day with "Patrol" by Camilo de Castro and Brad Allgood. 🎥 Brace yourself for an eye-opening documentary on Monday, April 22nd, all from the comfort of your own home. 🏡🌿 #2024OEFF #VirtualScreening #EarthDay2024