Top Tweets for #acemd
#ACEMD on RTX 4090 benchmarks:
• DHFR: 2150 ns/day
• FactorIX: 827 ns/day
• STMV: 58.3 ns/day
Emerging variants of SARS-CoV-2 NSP10 highlight strong functional conservation of its binding to two non-structural proteins, NSP14 and NSP16, thanks to the authors for using #ACEMD and #HTMD ! #moleculardynamics #Simulation https://t.co/DWayExzYiU
"Experimental and In Silico Analysis of TEM β-Lactamase Adaptive Evolution", thanks to the authors for using #HTMD #simplerun ! https://t.co/deTYl70RCG #moleculardynamics #ACEMD
"A Pathway Model to Understand the Evolution of Spike Protein Binding to ACE2 in SARS-CoV-2 Variants" thanks to the authors for using #ACEMD and #HTMD https://t.co/WAFErUgLZB biom12111607 #COVID19 #moleculardynamics
Investigation of the halophilic PET hydrolase PET6 from Vibrio gazogenes using #ACEMD. Thanks to the authors! https://t.co/9BxODaLbzk #MolecularDynamics #simulations visit https://t.co/d6ksgTyxGm
Selective activation of Gαob using #ACEMD and #HTMD. Thanks to the Authors! read more about it at https://t.co/pZFCAXxjeD
#drugdiscovery
Thanks to the authors of "Emergence of Elastic Properties in a Minimalist Resilin-Derived Heptapeptide upon Bromination" for using #ACEMD! Learn more about its performance at https://t.co/mX5KGohCEO The article: https://t.co/CYwPHn3aWE. #Simulation #Moleculardynamics
Huge work to visualize protein breathing motions associated with aromatic ring flipping. Thanks too the authors for citing #ACEMD !
https://t.co/bNBNnHwI1g
Dynamics of GLP-1R peptide agonist engagement
are correlated with kinetics of G protein activation using #ACEMD, congratulations to the authors! #moleculardynamics #simulations https://t.co/HPYV4hRK2T
TorchMD - A deep learning framework for molecular simulations
https://t.co/cvL3NE12H8
#moleculardynamics #simulations #machinelearning #neuralnetworkpotential #pytorch #openmm #acemd #openforcefieldinitiative #AI
ACEMD hits new milestone ! Thanks to all users ! #ACEMD #moleculardynamics #Simulations #drugdiscovery #drugdesign
Acellera participates to BioEurope 2020! Re discover computational chemistry. #playmolecule #AI #ACEMD #MachineLearning #drugdiscovery
Release of ACEMD 3.3 with integration of PLUMED to bring state-of-the-art free energy calculation capabilities to #ACEMD #MOLECULARDYNAMICS #HTMD #PLUMED
#acemd https://t.co/jIEEhNZjV5
Acellera is proud to participate to the development of OpenMM with the support of the Chan Zuckerberg Initiative (CZI)
https://t.co/1joYMxoLqS
#ACEMD #SIMULATIONS
While participating at #alchemy2019, check online and in real time how #PlayMolecule (https://t.co/JzEQRUE1ZZ) performs dG calculation, de novo design, affinity prediction, accelerated MD simulations. #drugdiscovery #drugdesign #ACEMD
A Machine Learning Approach for the Discovery of
Ligand-specific Functional Mechanisms of GPCRs. Thanks for citing #ACEMD ! Congrats to the authors ! @Preprints_org https://t.co/wfGwh8PsOQ
Congrats to the authors! Distinct Dopamine D2 Receptor Antagonists Differentially Impact D2 Receptor Oligomerization. Thanks for using #ACEMD https://t.co/e5zYsKmDT7
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