José Antonio Manso
@joseantoniomanso.bsky.social
Assistant Professor – Department of Molecular Biology at University of Cantabria.
Structural Microbiology – Protein Crystallography, SAXS, Biophysical Methods, Drug Discovery
Structural Microbiology – Protein Crystallography, SAXS, Biophysical Methods, Drug Discovery
Pinned
🚀 Interested in large-scale virtual screening using molecular docking?
Meet jamdock-suite:
github.com/jamanso/jamd...
a free toolkit that automates the entire workflow including compound library generation and docking analysis. 🧵
Meet jamdock-suite:
github.com/jamanso/jamd...
a free toolkit that automates the entire workflow including compound library generation and docking analysis. 🧵
Reposted by José Antonio Manso
I am pleased to announce the release of ProteinDJ v2! This is a major update that integrates BindCraft into the pipeline as an alternative to RFdiffusion for binder generation. You can try it out here: github.com/PapenfussLab/proteindj
#ProteinDJ #BindCraft #ProteinDesign @wehi-research.bsky.social
#ProteinDJ #BindCraft #ProteinDesign @wehi-research.bsky.social
November 25, 2025 at 3:01 AM
I am pleased to announce the release of ProteinDJ v2! This is a major update that integrates BindCraft into the pipeline as an alternative to RFdiffusion for binder generation. You can try it out here: github.com/PapenfussLab/proteindj
#ProteinDJ #BindCraft #ProteinDesign @wehi-research.bsky.social
#ProteinDJ #BindCraft #ProteinDesign @wehi-research.bsky.social
🚀 Interested in large-scale virtual screening using molecular docking?
Meet jamdock-suite:
github.com/jamanso/jamd...
a free toolkit that automates the entire workflow including compound library generation and docking analysis. 🧵
Meet jamdock-suite:
github.com/jamanso/jamd...
a free toolkit that automates the entire workflow including compound library generation and docking analysis. 🧵
November 16, 2025 at 6:38 PM
🚀 Interested in large-scale virtual screening using molecular docking?
Meet jamdock-suite:
github.com/jamanso/jamd...
a free toolkit that automates the entire workflow including compound library generation and docking analysis. 🧵
Meet jamdock-suite:
github.com/jamanso/jamd...
a free toolkit that automates the entire workflow including compound library generation and docking analysis. 🧵
Reposted by José Antonio Manso
Protocol for an automated virtual screening pipeline including library generation and docking evaluation #protocol #starprotocols #cellpress
Protocol for an automated virtual screening pipeline including library generation and docking evaluation
Here, we present a protocol for an automated virtual screening pipeline. We describe steps for generating
compound libraries for computational docking including Food and Drug Administration (FDA)-approved drugs, setting
up the receptor and grid box, and docking a library of compounds. We then detail procedures for ranking docking
results. This protocol offers scripts for Unix-like systems, lowering the access barrier for researchers
interested in structure-based drug disc...
dlvr.it
November 15, 2025 at 8:26 PM
Protocol for an automated virtual screening pipeline including library generation and docking evaluation #protocol #starprotocols #cellpress
Reposted by José Antonio Manso
Very grateful to the Danish Cancer Society and our MBG colleagues for their support!
This grant will enable us to expand our research scope and grow our team.
mbg.au.dk/en/news-and-...
This grant will enable us to expand our research scope and grow our team.
mbg.au.dk/en/news-and-...
Knæk Cancer grant to support new research in DNA repair mechanisms
Assistant Professor Pablo Alcón from the Department of Molecular Biology and Genetics has received a three-year Knæk Cancer grant of DKK 3.6 million from the Danish Cancer Society. The project aims to...
mbg.au.dk
November 12, 2025 at 10:13 AM
Very grateful to the Danish Cancer Society and our MBG colleagues for their support!
This grant will enable us to expand our research scope and grow our team.
mbg.au.dk/en/news-and-...
This grant will enable us to expand our research scope and grow our team.
mbg.au.dk/en/news-and-...
Reposted by José Antonio Manso
Extraordinary Seminar at the IBFG!
📢 Talk by Dr. Pablo Alcón - Aarhus University (Aarhus, Denmark)
🔬Topic: Understanding DNA Repair: Visualizing Tumour Suppressors in Action
🗓 Nov 14, 2025 – 12:00 PM
📍 IBFG Auditorium, Salamanca
📢 Talk by Dr. Pablo Alcón - Aarhus University (Aarhus, Denmark)
🔬Topic: Understanding DNA Repair: Visualizing Tumour Suppressors in Action
🗓 Nov 14, 2025 – 12:00 PM
📍 IBFG Auditorium, Salamanca
November 11, 2025 at 12:21 PM
Extraordinary Seminar at the IBFG!
📢 Talk by Dr. Pablo Alcón - Aarhus University (Aarhus, Denmark)
🔬Topic: Understanding DNA Repair: Visualizing Tumour Suppressors in Action
🗓 Nov 14, 2025 – 12:00 PM
📍 IBFG Auditorium, Salamanca
📢 Talk by Dr. Pablo Alcón - Aarhus University (Aarhus, Denmark)
🔬Topic: Understanding DNA Repair: Visualizing Tumour Suppressors in Action
🗓 Nov 14, 2025 – 12:00 PM
📍 IBFG Auditorium, Salamanca
Reposted by José Antonio Manso
Happy to share that our new paper is now available online @irnasa.bsky.social @usaloficial.bsky.social @unizar.es @uahes.bsky.social
t.co/daOjT5HjC2
t.co/daOjT5HjC2
November 7, 2025 at 9:20 AM
Happy to share that our new paper is now available online @irnasa.bsky.social @usaloficial.bsky.social @unizar.es @uahes.bsky.social
t.co/daOjT5HjC2
t.co/daOjT5HjC2
Reposted by José Antonio Manso
Vinculin is a simple adapter protein right? Wrong!
That’s been the prevailing view for the 46 years since it was discovered.
Here we provide a new paradigm and show that vinculin is a complex mechanosensor itself, containing 6 binary switch domains.
www.science.org/doi/10.1126/...
That’s been the prevailing view for the 46 years since it was discovered.
Here we provide a new paradigm and show that vinculin is a complex mechanosensor itself, containing 6 binary switch domains.
www.science.org/doi/10.1126/...
The mechanical response of vinculin
Vinculin buffers force via dynamic domain unfolding/refolding under physiological load and lacks a stable head-tail lock.
www.science.org
October 31, 2025 at 6:29 PM
Vinculin is a simple adapter protein right? Wrong!
That’s been the prevailing view for the 46 years since it was discovered.
Here we provide a new paradigm and show that vinculin is a complex mechanosensor itself, containing 6 binary switch domains.
www.science.org/doi/10.1126/...
That’s been the prevailing view for the 46 years since it was discovered.
Here we provide a new paradigm and show that vinculin is a complex mechanosensor itself, containing 6 binary switch domains.
www.science.org/doi/10.1126/...
Reposted by José Antonio Manso
I love AlphaFold—but please include PAE (Predicted Aligned Error) plots for every “interaction.” Pretty PDBs ≠ proof. If the PAE doesn’t show an interface, it ain’t one. Show the plots. Structural biology's reputation is on the line.
October 24, 2025 at 5:44 PM
I love AlphaFold—but please include PAE (Predicted Aligned Error) plots for every “interaction.” Pretty PDBs ≠ proof. If the PAE doesn’t show an interface, it ain’t one. Show the plots. Structural biology's reputation is on the line.
Reposted by José Antonio Manso
The multimerization pathway of the glucocorticoid receptor url: academic.oup.com/nar/article/...
The multimerization pathway of the glucocorticoid receptor
Abstract. The glucocorticoid receptor (GR) is a leading drug target due to its antiinflammatory and immunosuppressive roles. The functional oligomeric conf
academic.oup.com
October 26, 2025 at 9:02 AM
The multimerization pathway of the glucocorticoid receptor url: academic.oup.com/nar/article/...
Reposted by José Antonio Manso
First meeting of the Salamanca Structural Biology and Biophysics Consortium. Honoured to host Prof. Carlos Bustamante (UC Berkeley) as our special guest. It has been a pleasure to exchange science, ideas, and perspectives with him. @olgacalvog.bsky.social @peredalab.bsky.social
October 22, 2025 at 9:17 PM
First meeting of the Salamanca Structural Biology and Biophysics Consortium. Honoured to host Prof. Carlos Bustamante (UC Berkeley) as our special guest. It has been a pleasure to exchange science, ideas, and perspectives with him. @olgacalvog.bsky.social @peredalab.bsky.social