Gabriel Hella
@gabriel-hella.bsky.social
Computational Biochemistry | CovinoLab
Reposted by Gabriel Hella
How does Mycoplasma pneumoniae scavenge lipids from its host membranes? | Science Advances www.science.org/doi/full/10....
How does Mycoplasma pneumoniae scavenge lipids from its host membranes?
P116 is an adaptive, all-in-one lipid acquisition machinery fit for any host environment.
www.science.org
October 2, 2025 at 11:13 AM
How does Mycoplasma pneumoniae scavenge lipids from its host membranes? | Science Advances www.science.org/doi/full/10....
Reposted by Gabriel Hella
New preprint on 3D heterochromatin architecture in human cells! Great collab with @sergiocruzleon.bsky.social & @johannesbetz.bsky.social from @hummerlab.bsky.social, @marinalusic.bsky.social & the Turoňová lab. Many thanks to my supervisor @becklab.bsky.social. bioRxiv: tinyurl.com/3a74uanv 🧵👇
April 11, 2025 at 9:04 AM
New preprint on 3D heterochromatin architecture in human cells! Great collab with @sergiocruzleon.bsky.social & @johannesbetz.bsky.social from @hummerlab.bsky.social, @marinalusic.bsky.social & the Turoňová lab. Many thanks to my supervisor @becklab.bsky.social. bioRxiv: tinyurl.com/3a74uanv 🧵👇
Reposted by Gabriel Hella
Check out our new paper!
Protein assembly in membranes is crucial yet elusive. Why steer when you can just observe? We introduce a bias-free simulation method that captures the full picture of transmembrane dimerization—free energies, mechanisms, and rates!
pubs.acs.org/doi/10.1021/...
Protein assembly in membranes is crucial yet elusive. Why steer when you can just observe? We introduce a bias-free simulation method that captures the full picture of transmembrane dimerization—free energies, mechanisms, and rates!
pubs.acs.org/doi/10.1021/...
Free Energy, Rates, and Mechanism of Transmembrane Dimerization in Lipid Bilayers from Dynamically Unbiased Molecular Dynamics Simulations
The assembly of proteins in membranes plays a key role in many crucial cellular pathways. Despite their importance, characterizing transmembrane assembly remains challenging for experiments and simula...
pubs.acs.org
January 24, 2025 at 2:37 PM
Check out our new paper!
Protein assembly in membranes is crucial yet elusive. Why steer when you can just observe? We introduce a bias-free simulation method that captures the full picture of transmembrane dimerization—free energies, mechanisms, and rates!
pubs.acs.org/doi/10.1021/...
Protein assembly in membranes is crucial yet elusive. Why steer when you can just observe? We introduce a bias-free simulation method that captures the full picture of transmembrane dimerization—free energies, mechanisms, and rates!
pubs.acs.org/doi/10.1021/...
Reposted by Gabriel Hella
Thanks for all the comments!
Here comes my "not so elegant but so far only" solution as a Christmas gift 🎄
1. Build correct structure with glycam.org
2. Reorder and rename atoms to fit CHARMM convention topology from Charmm-gui
3. Use topology & FF files from Charmm-gui with corrected structure
Here comes my "not so elegant but so far only" solution as a Christmas gift 🎄
1. Build correct structure with glycam.org
2. Reorder and rename atoms to fit CHARMM convention topology from Charmm-gui
3. Use topology & FF files from Charmm-gui with corrected structure
December 22, 2024 at 11:21 AM
Thanks for all the comments!
Here comes my "not so elegant but so far only" solution as a Christmas gift 🎄
1. Build correct structure with glycam.org
2. Reorder and rename atoms to fit CHARMM convention topology from Charmm-gui
3. Use topology & FF files from Charmm-gui with corrected structure
Here comes my "not so elegant but so far only" solution as a Christmas gift 🎄
1. Build correct structure with glycam.org
2. Reorder and rename atoms to fit CHARMM convention topology from Charmm-gui
3. Use topology & FF files from Charmm-gui with corrected structure
Reposted by Gabriel Hella
G-Protein-Coupled Receptor Surface Creates a Favorable Pathway for Membrane Permeation of Drug Molecules | The Journal of Physical Chemistry Letters pubs.acs.org/doi/10.1021/...
G-Protein-Coupled Receptor Surface Creates a Favorable Pathway for Membrane Permeation of Drug Molecules
G-protein-coupled receptors (GPCRs) play a crucial role in modulating physiological responses and serve as the main drug target. Specifically, salmeterol and salbutamol, which are used for the treatme...
pubs.acs.org
December 18, 2024 at 10:14 AM
G-Protein-Coupled Receptor Surface Creates a Favorable Pathway for Membrane Permeation of Drug Molecules | The Journal of Physical Chemistry Letters pubs.acs.org/doi/10.1021/...