#moleculardocking
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bioexcelcoe.bsky.social
Happy New Year to all the BioExcel community! 🎇

Our first #webinar of the year will feature Attilio Vargiu who will talk about how to account for protein and ligand flexibility in molecular docking

🗓️ 28 January 2025, 15:00 CET
➡️ bit.ly/40q3gKG

#moleculardocking #virtualscreening #compchem
January 8, 2025 at 12:40 PM
bioexcelcoe.bsky.social
☝️Don't forget to register for our webinar by Attilio Vargiu from University of Cagliari on "Accounting for protein and ligand flexibility in #moleculardocking and #virtualscreening of challenging targets"

🗓️ 28 January 2025, 15:00 CET
➡️ bit.ly/40q3gKG

#webinar #compchem
January 16, 2025 at 10:24 AM
nrrjournalofficial.bsky.social
Zhang et al. show that Sanghuang, a traditional medicinal fungus, may ameliorate #liverinjury and promote #regeneration by targeting multiple pathways including HIF-1α and MAPK signaling. doi.org/10.4103/REGE... #TraditionalChineseMedicine #NetworkPharmacology #MolecularDocking #MedSky #neuroskyence
February 26, 2026 at 3:31 AM
aenbleidd.bsky.social
#BOINC Central is an open platform for scientists.
I’ve decided to start creating tutorials and publishing them on #Medium.
The first tutorial, covering #Autodock, #Vina, and #Vinardo, is available: medium.com/@lestat.de.l...

#DrugDiscovery #VirtualScreening #HPC #MolecularDocking
September 23, 2025 at 8:25 PM
bioexcelcoe.bsky.social
Have you registered yet?

On 28 January 2024 Attilio Vargiu will talk about how to account for protein and ligand flexibility in molecular docking

Registration and further information➡️ bit.ly/40q3gKG

#webinar #moleculardocking #virtualscreening #compchem
Webinar: Accounting for protein and ligand flexibility in molecular docking and virtual screening of challenging targets (2025-1-28)
Visit the post for more.
bit.ly
January 22, 2025 at 9:23 AM
medicinalmushrooms.bsky.social
Bioactives of Lion's Mane Medicinal Mushroom Hericium erinaceus (Agaricomycetes) Targeting PPAR Signaling Pathway: An Experimental and In Silico Investigation

www.dl.begellhouse.com/journals/708...

#LionsMane #NetworkPharmacology #MolecularDocking
April 29, 2026 at 4:45 PM
ccdc.cam.ac.uk
Our GOLD protein–ligand docking software is integrated with the Orion platform from OpenEye, Cadence Molecular Sciences.

This provides computational & medicinal chemists with a powerful toolset to streamline docking workflows.

🔗 ccdc-info.com/4g1bsWO

#DrugDiscovery #MolecularDocking #CompChemSky
A screenshot showing GOLD docking in OpenEye's Orion platform.
December 11, 2024 at 3:04 PM
drabshah.bsky.social
Just published in Nature Publishing Group #scientificreport #Psoraleacorylifolia #antioxidant #networkpharmacology #moleculardocking #natureportfolio
www.nature.com/articles/s41...
Integrative metabolomics and system pharmacology reveal the antioxidant blueprint of Psoralea corylifolia - Scientific Reports
Scientific Reports - Integrative metabolomics and system pharmacology reveal the antioxidant blueprint of Psoralea corylifolia
www.nature.com
August 7, 2025 at 2:36 AM
bioexcelcoe.bsky.social
🔜 Join us tomorrow at 15:00 CET (UTC+1) to hear about "Accounting for protein and ligand flexibility in molecular docking and virtual screening of challenging targets"

Registration is still open: bit.ly/40q3gKG

#webinar #moleculardocking #virtualscreening #compchem
Webinar: Accounting for protein and ligand flexibility in molecular docking and virtual screening of challenging targets (2025-1-28)
Visit the post for more.
bit.ly
January 27, 2025 at 12:03 PM
oxfordomicline.bsky.social
🧬 Molecular docking enables researchers to explore protein–ligand interactions, prioritize lead compounds, and accelerate drug discovery through computational science

Oxford OmicLine- Advancing research with computational biology

#MolecularDocking #DrugDiscovery #Bioinformatics #StructuralBiology
July 10, 2026 at 7:14 AM
newsmedical.bsky.social
Scientists develop fenugreek-based nanoparticles to enhance diabetes drug effectiveness 🧪🌱🔬 www.news-medical.net/news/2025030... #Diabetes #LipidNanoparticles #LArginine #DrugDelivery #Bioavailability #Fenugreek #MolecularDocking #Antioxidant
Scientists develop fenugreek-based nanoparticles to enhance diabetes drug effectiveness
Researchers explored L-arginine-loaded lipid nanoparticles from fenugreek seed oil, finding they enhance drug stability and bioavailability, showing promise for diabetes treatment.
www.news-medical.net
March 3, 2025 at 2:07 AM
begellmedical.bsky.social
Molecular Docking: An Emerging Tool for Target-Based Cancer Therapy

dl.begellhouse.com/journals/439...

#MolecularDocking #DrugDiscovery #ComputationalBiology #CRO
February 24, 2026 at 5:15 PM
ccdc.cam.ac.uk
Presented by scientists from The CCDC and OpenEye, Cadence Molecular Sciences, this webinar includes a live demonstration using covalent and non-covalent protein–ligand docking examples.

Register 👉 ccdc-info.com/4iZWaTa

#CompChemSky #MolecularDocking #DrugDiscovery
Promotional graphic with photographs of the two webinar speakers.
May 12, 2025 at 11:40 AM
drabshah.bsky.social
Our article in network pharmacology and molecular docking studies of chicory #networkpharmacology #moleculardocking #chicory #systembiology #glucosidase

www.mdpi.com/1422-0067/26...
www.mdpi.com
October 19, 2025 at 11:05 AM
drabshah.bsky.social
Find our recent article on α-Glucosidase Inhibition-Guided Network Pharmacology and Molecular Docking of Chicory #IJMS #networkpharmacology #experimental #moleculardocking #chicory

www.mdpi.com/1422-0067/26...
www.mdpi.com
September 28, 2025 at 8:44 PM
respublications.bsky.social
A new #RESMedVetEnt article shows benzyl alcohol has a synergistic effect with #deltamethrin against #HouseFlies Musca domestica, and uses #MolecularDocking to explore potential modes of action 🪰

Read the article now🔽
doi.org/10.1111/mve.12807

@wiley.com
Graphical abstract of: Benzyl alcohol synergistic effect with deltamethrin against Musca domestica with molecular docking of potential modes of action
May 15, 2025 at 10:55 AM
hgpu.bsky.social
Architecting Tensor Core-Based Reductions for Irregular Molecular Docking Kernels

#CUDA #Chemistry #MolecularDocking #Package

hgpu.org?p=30318
Architecting Tensor Core-Based Reductions for Irregular Molecular Docking Kernels
Tensor Cores (TCs) are specialized hardware units designed for efficient matrix multiplication and are widely utilized in deep learning workloads. However, their adoption in more irregular high-per…
hgpu.org
October 26, 2025 at 8:04 PM
durrantlab.bsky.social
My lab recently built MolModa, a free, browser-based molecular docking tool. No installs, no logins—just docking that runs locally for speed and security. I hope you’ll give it a try and help spread the word! durrantlab.com/molmoda #MolModa #MolecularDocking #CADD #ComputationalBiology
MolModa
MolModa is a browser-based suite for computer-aided drug discovery, brought to you by the Durrant Lab. It runs computational-chemistry calculations on your local computer, without requiring extensive ...
durrantlab.com
February 23, 2025 at 1:36 AM
oxfordomicline.bsky.social
⚛️ Molecular Docking + 🧬 Molecular Dynamics Simulation = stronger insights into protein–ligand interactions and drug candidate evaluation.

Oxford OmicLine — Empowering drug discovery through computational biology.

#MolecularDocking #MolecularDynamics #ComputationalBiology #Bioinformatics
June 16, 2026 at 6:00 AM
genesndiseases.bsky.social
Researchers identified four potential drug targets for #Gastric #SignetRingCell #Carcinoma, and #MolecularDocking identified #Neratinib as a promising therapeutic option, providing new avenues for cancer therapy. #medsky

#OpenAccess: www.sciencedirect.com/science/arti...
November 3, 2025 at 12:53 PM
reetesh29.bsky.social
🧬 Learn structural bioinformatics & molecular docking with Dr. Reetesh Kumar!

🎓 100 free Udemy enrollments.
🎟️ 0B9772F94AC24F2F9EA1
Ends Oct 12, 2026, 7:59 PM PDT, or when claimed.

Enroll here: www.udemy.com/course/ultim...

#Bioinformatics #MolecularDocking
September 12, 2026 at 3:26 AM
oxfordomicline.bsky.social
⚛️ Molecular docking enables scientists to study protein–ligand interactions in silico, helping prioritize promising drug candidates before laboratory testing.

Oxford OmicLine — Advancing research through computational biology.

#MolecularDocking #DrugDiscovery #Bioinformatics #StructuralBiology
June 15, 2026 at 10:39 AM
molecules-mdpi.bsky.social
🧬 Have you seen this article by our Editorial Board Member Štefan Janeček yet?

👉 Hodorová & Janeček explore potential binding sites of the GH126 enzyme CPF_2247 using molecular docking.

🔗 brnw.ch/21x4s8n

#MolecularDocking #GH126 #Bioinformatics
July 27, 2026 at 9:35 AM
aenbleidd.bsky.social
Are you an academic researcher running #MolecularDocking?

Leverage #BOINC Central to access free, large-scale distributed computing for your #AutoDock #Vina jobs.
Our guide walks you through setup to submission:
github.com/BOINC/boinc-...

#DrugDiscovery #VirtualScreening #HPC
June 23, 2025 at 2:34 PM
samvegsrivastava.bsky.social
🧬 Why Molecular Docking is a MUST-HAVE skill in Drug Discovery

🎓 Ultimate Molecular Docking Masterclass – Start from Scratch
👉 Enroll here: www.udemy.com/course/ultim...

#MolecularDocking #DrugDiscovery #Bioinformatics #ComputationalChemistry #LifeSciences #UdemyCourse
Structural Bioinformatics; Molecular Docking Masterclass
A-Z, Structural Bioinformatics: Proteomics, Molecular Docking and Virtual Screening
www.udemy.com
December 19, 2025 at 5:51 PM