Acellera News

News

  1. AcepKa: from pKa prediction to protonation-state preparation
  2. Twenty-two case studies planned and run by PlayMolecule AI
  3. Beyond one billion tokens per day: a small experiment in AI for drug discovery
  4. Does better electrostatics improve RBFE?
  5. From PDB to Simulation-Ready: Expanding What Molecular System Preparation Can Handle
  6. Evaluating AceProp on public Polaris benchmarks
  7. An AceProp submission to the PXR Blind Challenge
  8. AceFF™-2: Bridging the Gap Between Speed and Accuracy in Drug Discovery
  9. From Conversation to Computation: PlayMolecule AI Calls Molecular Workflows
  10. Stop Searching, Start Asking: Introducing "Speak to a Protein"
  11. Acellera and Psivant Collaborate to Develop Transformative Computational Drug Discovery Approaches Using AI and Quantum Simulations
  12. Advancing Drug Discovery with AceFF™ 1.0
  13. Release of ACEMD 4.0.0: Advancing Machine Learning for Molecular Dynamics Simulations
  14. Acellera CCPBioSim IndustryTalk: Applications of MD Simulations in Drug Discovery Pipelines
  15. Professor Andrew White Joins Acellera Therapeutics’ Advisory Board
  16. ACEGEN: A Reinforcement Learning Toolkit for Generative Drug Design
  17. Exploring the Complexities of PURA Syndrome: Insights from Molecular Dynamics
  18. A published RBFE study and a call for collaborators
  19. PlayMolecule Viewer: A Toolkit for the Visualization of Molecules and Other Data
  20. Acellera receives ISO 27001 certification in information security
  21. OpenMM 8 with Integrated Machine Learning Potentials
  22. Machine Learning Small Molecule Properties in Drug Discovery: A Glimpse into Acellera's Innovations
  23. Top-Down Machine Learning of Coarse-Grained Protein Force Fields
  24. Machine learning coarse-grained potentials of protein thermodynamics
  25. NNP/MM: Accelerating Molecular Dynamics Simulations with Machine Learning Potentials and Molecular Mechanics
  26. Exploring the Alchemical Transfer Method
  27. SPICE Dataset Released
  28. Workshop “Methods In Molecular Simulations And Machine Learning” 14-16/07/22 Barcelona
  29. New Tutorial: Using PlayMolecule® AceProfiler To Identify Homologs In The Protein Data Bank
  30. Pocket Detection, Docking And Molecular Dynamics For Binding Mode Prediction.
  31. CrypticScout Redesigned To Improve Fragment Screening Analysis
  32. C4X Discovery And Acellera Collaborate To Shed Light On The Mechanisms Of Action Of Anti-Cancer Drugs
  33. Acellera and Chemotargets collaborate on AI and physics based drug discovery
  34. New Tutorial: Using PlayMolecule Apps To Run A Drug Discovery Campaign
  35. New Tutorial: Predicting Ligand Binding Affinities With KDeep And KDeep Trainer
  36. Release Of ACEMD 3.5
  37. New Tutorial: AceDock, Protein-Ligand Docking And Virtual Screening.
  38. Release Of ACEMD 3.4
  39. TorchMD – A Deep Learning Framework For Molecular Simulations
  40. New Tutorial: Using CrypticScout To Find Binding Pockets In A Protein
  41. ACEMD And OpenMM Unite To Tackle New Challenges In Molecular Simulations
  42. How We Did On D3R Grand Challenge 4
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