SIRAH Forcefield

SIRAH is a top-down Coarse-grained force field for biomolecules.

Developed by Biomolecular Simulations Group
Institut Pasteur de Montevideo, Uruguay

[SIRAH Forcefield @SIRAHForcefield]

Artículo del Año para SIRAH en el J. Str. Biol. https://t.co/axXl6zsIbt via @YouTube

[SIRAH Forcefield @SIRAHForcefield]

The SIRAH GUI for CG analysis has been accepted in @JCIM_JCTC. https://t.co/4VhoJrS9zR
The package here https://t.co/jfvzkGZteZ

[SIRAH Forcefield @SIRAHForcefield]

An unprecedented joint special issue on @JCIM_JCTC to highlight the contributions of Latin American scientists to computational chemistry has just been launched.
https://t.co/jApqO0ljDa
https://t.co/8Obcm97pnR
@IPMontevideo @institutpasteur @FqUdelar @iscb

[SIRAH Forcefield @SIRAHForcefield]

A toast to interoperability! SIRAH on NAMD became the JPCB cover @JPhysChem @IPMontevideo https://t.co/J0lzWcQ5cb

[SIRAH Forcefield @SIRAHForcefield]

Our paper "Pouring SIRAH on NAMD" got the cover page #MyACSCover on J. Chem. Phys.
@ACS4Authors @IPMontevideo
https://t.co/0e4dlCwQYd

[The Journal of Physical Chemistry @JPhysChem]

Good news for MD fans: the CG #SIRAH force field is now available on #NAMD! Simulate larger systems, longer timescales seamlessly from #AMBER topologies Explore MD like never before. @SIRAHForcefield @ambermdprog @tcbguiuc @IPMontevideo @FqUdelar
https://t.co/aG56OXt8iK

[SIRAH Forcefield @SIRAHForcefield]

Pouring SIRAH on NAMD | The Journal of Physical Chemistry B https://t.co/0e4dlCxoNL

[SIRAH Forcefield @SIRAHForcefield]

Just accepted paper on @JPhysChem !
SIRAH simulations ported straightforwardly to #NAMD from #AMBER topologies. See a step-by-step tutorial here: https://t.co/sVb3CJVUpT

[SIRAH Forcefield @SIRAHForcefield]

How To Make A Virus https://t.co/zHxHGkdyTx via @YouTube

[SIRAH Forcefield @SIRAHForcefield]

Remarkable collaborative effort in the protein CG community https://t.co/coMeiO7HWa

[SIRAH Forcefield @SIRAHForcefield]

Customizably designed multibodies neutralize SARS-CoV-2 in a variant-insensitive manner https://t.co/vQ0D4f8ywu

[SIRAH Forcefield @SIRAHForcefield]

"Wrapping Up Viruses at Multiscale Resolution: Optimizing #PACKMOL and SIRAH Execution for Simulating the Zika Virus"
https://t.co/0bblNzCfHT

[SIRAH Forcefield @SIRAHForcefield]

"Assessing SIRAH’s Capability to Simulate Intrinsically Disordered Proteins and Peptides" Available in
https://t.co/VjdyWhUlyN
@ACSPublications

[SIRAH Forcefield @SIRAHForcefield]

SIRAH-CoV2 initiative update:

Spike D614G mutation (introduced on PDB: 6XR8) https://t.co/R0FmaxQQoq

#COVID19 #SARSCoV2 #spike

[SIRAH Forcefield @SIRAHForcefield]

SIRAH late harvest: coarse-grained models for protein glycosylation https://t.co/q7JSxzTNVR
@biorxivpreprint @biorxiv_biophys #preprint #glycotime #biophysics

[ChemRxiv @ChemRxiv]

Wrapping up Viruses at Multiscale Resolution: Optimizing PACKMOL and SIRAH Execution for Simulating the Zika Virus. by Matías R. Machado & co-workers

https://t.co/HenK2myAIu

[SIRAH Forcefield @SIRAHForcefield]

SIRAH-CoV2 Initiative updates:

RBD triple glycosylated at Asn331, 343, and 481, with Man9 glycosylation, from PDB structure 6XEY https://t.co/PBgrQPnuoY

@SAIMS_official
#COVID19
#SARSCoV2
#glycotime

[SIRAH Forcefield @SIRAHForcefield]

With SIRAH ff we've dissected the role of glue-tamine in seeding peptide aggregation. https://t.co/brDyZ2gSko

[SIRAH Forcefield @SIRAHForcefield]

The newly available trajectory of the SIRAH-CoV2 initiative:

SARS-CoV-2 helicase (PDB id:6ZSL) https://t.co/stmCRZTqs4 Including Zinc ions.

@SAIMS_official
#COVID #SARSCoV2

[SIRAH Forcefield @SIRAHForcefield]

- S2 Spike core fragment in postfusion state (PDB id:6M1V) https://t.co/OX5xiqk167

All the trajectories are available through the @ClusterUy web https://t.co/Vh2YB2HSzc

#COVID #SARSCoV2

[SIRAH Forcefield @SIRAHForcefield]

SIRAH-CoV2 Initiative updates:

- SARS-CoV2 ORF3a dimeric transmembrane protein (PDB id: 6XDC, Bioassembly 1) embedded in a membrane patch containing POPE, POPC, and POPS phospholipids in a 2:1:1 proportion https://t.co/Z1CaH8PyDI (movie)

@SAIMS_official
#COVID #SARSCoV2