Acellera
Acellera
  • Видео 37
  • Просмотров 12 432
Small-Molecule Discovery with Acellera Therapeutics
Acellera Therapeutics provides AI and quantum chemistry-based solutions for small-molecule discovery. We work with biotech and pharma organizations to enhance their discovery programs with key target and ligand insights.
Get in touch to know how might we help you: www.acellera.com/contact-us
Просмотров: 134

Видео

Molecular Dynamics of the KIX--cMyb complex binding and folding
Просмотров 30Год назад
Acellera Therapeutics provides AI and quantum chemistry-based solutions for small-molecule discovery. We work with biotech and pharma organizations to enhance their discovery programs with key target and ligand insights. Get in touch to know how might we help you: www.acellera.com/contact-us
Coarse-grained molecular dynamics of Chignolin
Просмотров 207Год назад
Visualization of a representative trajectory where Chignolin reaches the native state, generated using a coarse-grained simulation with a neural network potential. The movie was produced using Open-Source PyMOL with a period of 0.5 ps per frame. This visualization is a part of Supporting Information of publication
Machine Learning for Molecular Spectra and Solvent Effects by M. Gastegger
Просмотров 166Год назад
Acellera is a UK based company focused on providing new technologies for the study of biophysical phenomena. For the past 7 years, Acellera's R&D programme has focused on developing software and hardware solutions that optimize the efficiency and throughput of molecular dynamics (MD) simulations. Our first innovation, ACEMD, demonstrated accelerator processors (GPUs) as an entry to high efficie...
Bespoke Interaction Potentials for Computer-Aided Drug Design by D. Cole
Просмотров 66Год назад
Acellera is a UK based company focused on providing new technologies for the study of biophysical phenomena. For the past 7 years, Acellera's R&D programme has focused on developing software and hardware solutions that optimize the efficiency and throughput of molecular dynamics (MD) simulations. Our first innovation, ACEMD, demonstrated accelerator processors (GPUs) as an entry to high efficie...
Deep learning for molecular modeling at Microsoft Research by R. van den Berg
Просмотров 461Год назад
Acellera is a UK based company focused on providing new technologies for the study of biophysical phenomena. For the past 7 years, Acellera's R&D programme has focused on developing software and hardware solutions that optimize the efficiency and throughput of molecular dynamics (MD) simulations. Our first innovation, ACEMD, demonstrated accelerator processors (GPUs) as an entry to high efficie...
Addressing the Challenge of Drug Discovery with Machine Learning and Exascale Computing by A. Wade
Просмотров 89Год назад
Acellera is a UK based company focused on providing new technologies for the study of biophysical phenomena. For the past 7 years, Acellera's R&D programme has focused on developing software and hardware solutions that optimize the efficiency and throughput of molecular dynamics (MD) simulations. Our first innovation, ACEMD, demonstrated accelerator processors (GPUs) as an entry to high efficie...
Building a Continuous Representation of Atomic Environment by O. Kononova
Просмотров 77Год назад
Acellera is a UK based company focused on providing new technologies for the study of biophysical phenomena. For the past 7 years, Acellera's R&D programme has focused on developing software and hardware solutions that optimize the efficiency and throughput of molecular dynamics (MD) simulations. Our first innovation, ACEMD, demonstrated accelerator processors (GPUs) as an entry to high efficie...
Predicting protein-membrane interfaces of peripheral membrane proteins by A. Chatzigoulas
Просмотров 52Год назад
Acellera is a UK based company focused on providing new technologies for the study of biophysical phenomena. For the past 7 years, Acellera's R&D programme has focused on developing software and hardware solutions that optimize the efficiency and throughput of molecular dynamics (MD) simulations. Our first innovation, ACEMD, demonstrated accelerator processors (GPUs) as an entry to high efficie...
Rational discovery of cardiolipin binders by multiscale modeling and machine learning by T. Bereau
Просмотров 110Год назад
Acellera is a UK based company focused on providing new technologies for the study of biophysical phenomena. For the past 7 years, Acellera's R&D programme has focused on developing software and hardware solutions that optimize the efficiency and throughput of molecular dynamics (MD) simulations. Our first innovation, ACEMD, demonstrated accelerator processors (GPUs) as an entry to high efficie...
Teaching free energy calculations to learn by J. Chodera
Просмотров 1,3 тыс.Год назад
Acellera is a UK based company focused on providing new technologies for the study of biophysical phenomena. For the past 7 years, Acellera's R&D programme has focused on developing software and hardware solutions that optimize the efficiency and throughput of molecular dynamics (MD) simulations. Our first innovation, ACEMD, demonstrated accelerator processors (GPUs) as an entry to high efficie...
Many-body message passing networks by G. Csanyi
Просмотров 505Год назад
Acellera is a UK based company focused on providing new technologies for the study of biophysical phenomena. For the past 7 years, Acellera's R&D programme has focused on developing software and hardware solutions that optimize the efficiency and throughput of molecular dynamics (MD) simulations. Our first innovation, ACEMD, demonstrated accelerator processors (GPUs) as an entry to high efficie...
(Degeneracy in) Symmetry-Preserving Neural Networks by T. Smidt
Просмотров 85Год назад
Acellera is a UK based company focused on providing new technologies for the study of biophysical phenomena. For the past 7 years, Acellera's R&D programme has focused on developing software and hardware solutions that optimize the efficiency and throughput of molecular dynamics (MD) simulations. Our first innovation, ACEMD, demonstrated accelerator processors (GPUs) as an entry to high efficie...
Active learning of ML potentials with uncertainty differentiation and attribution by R. Gomez
Просмотров 163Год назад
Acellera is a UK based company focused on providing new technologies for the study of biophysical phenomena. For the past 7 years, Acellera's R&D programme has focused on developing software and hardware solutions that optimize the efficiency and throughput of molecular dynamics (MD) simulations. Our first innovation, ACEMD, demonstrated accelerator processors (GPUs) as an entry to high efficie...
Neural networks learning quantum chemistry by O. Isayev
Просмотров 366Год назад
Acellera is a UK based company focused on providing new technologies for the study of biophysical phenomena. For the past 7 years, Acellera's R&D programme has focused on developing software and hardware solutions that optimize the efficiency and throughput of molecular dynamics (MD) simulations. Our first innovation, ACEMD, demonstrated accelerator processors (GPUs) as an entry to high efficie...
Investigating Electrostatic Interactions with Data-Driven Models by P. Loche
Просмотров 93Год назад
Investigating Electrostatic Interactions with Data-Driven Models by P. Loche
Ultra-Fast Interpretable Machine-Learning Potentials by M. Rupp
Просмотров 246Год назад
Ultra-Fast Interpretable Machine-Learning Potentials by M. Rupp
Unifying machine learning and quantum chemistry with deep neural networks by K. T. Schütt
Просмотров 553Год назад
Unifying machine learning and quantum chemistry with deep neural networks by K. T. Schütt
How the training data influences machine learned predictions in Chemistry by L. I. Vazquez-Salazar
Просмотров 107Год назад
How the training data influences machine learned predictions in Chemistry by L. I. Vazquez-Salazar
Δ-quantum ML potentials in realistic drug-like space by J. Jimenez-Luna
Просмотров 185Год назад
Δ-quantum ML potentials in realistic drug-like space by J. Jimenez-Luna
Scalable Methods for Molecular Property Prediction by J. Godwin
Просмотров 274Год назад
Scalable Methods for Molecular Property Prediction by J. Godwin
CrypticScout: Mixed Solvent Molecular Dynamics for Drug Discovery
Просмотров 4543 года назад
CrypticScout: Mixed Solvent Molecular Dynamics for Drug Discovery
ACEMD: In silico binding assay of melatonin binding to SARS-CoV-2 protease
Просмотров 1,7 тыс.4 года назад
ACEMD: In silico binding assay of melatonin binding to SARS-CoV-2 protease
Acellera - Dopamine D3 receptor antagonist reveals a cryptic pocket in aminergic GPCRs
Просмотров 1 тыс.5 лет назад
Acellera - Dopamine D3 receptor antagonist reveals a cryptic pocket in aminergic GPCRs
PathwayMap: off target prediction and repurposing drugs application
Просмотров 2445 лет назад
PathwayMap: off target prediction and repurposing drugs application
Parameterize - PlayMolecule
Просмотров 5745 лет назад
Parameterize - PlayMolecule
DeltaDelta - PlayMolecule
Просмотров 1215 лет назад
DeltaDelta - PlayMolecule
KDeep - PlayMolecule
Просмотров 3025 лет назад
KDeep - PlayMolecule
LigVoxel - PlayMolecule
Просмотров 2955 лет назад
LigVoxel - PlayMolecule
ProteinPrepare - PlayMolecule
Просмотров 4225 лет назад
ProteinPrepare - PlayMolecule

Комментарии

  • @Acelleralive
    @Acelleralive 2 года назад

    Visit www.playmolecule.com and discover KDeep trainable!

  • @Acelleralive
    @Acelleralive 2 года назад

    We invite you to test the latest version of Parameterize on PlayMolecule at www.playmolecule.com

  • @khyasemin6318
    @khyasemin6318 3 года назад

    I want manual guid for play molecule app

  • @ashwins5180
    @ashwins5180 4 года назад

    Can you please explain fully?

  • @Acelleralive
    @Acelleralive 5 лет назад

    The corresponding article published in collaboration with Novartis is available at doi.org/10.1021/acs.jcim.8b00711 and more to read at www.acellera.com/science/