FormulationMM

Update Log

Platform Update Log

Latest improvements and development updates of the FormulationMM platform.

  1. 2025-08-26

    • DIY for your own cyclodextrin.
    • We are glad to announce that user now can upload your own structure of cyclodextrin for drug formulation.
    • Upoload of 3D strucure like sdf, pdb, mol2 are highly recommended instead of SMILES (although we support that function)

  2. 2025-07-09

    • Updated the docking algorithm of cyclodextrin.
    • Strcuture of ligand will be optimized before docking, and the determination of binding pocket in cyclodextrin relys on the center of mass of cyclic glucose ring.

  3. 2025-07-03

    • Updated the module of drug parameter generation.
    • RESP, AM1-BCC, CM1, CM2, ESP (Kollman), Mulliken, Gasteiger are supported now.

  4. 2025-06-01

    • Updated the algorithm of bilayer generation in liposome, micelle, transmembrane module.
    • Now the lipid positions will be shuffled randomly when you have more than one type of lipids.

  5. 2025-05-29

    • Updated the algorithm in cyclodextrin module.
    • Updated the entropy calculation algorithm in cyclodextrin module based on quasi-harmonic method and Schlitter method.
    • Updated the MMPB/SA binding free energy algorithm to include entropy contributions, resulting in binding free energies that better match the magnitude of experimental data.

  6. 2025-04-25

    • Updated the algorithm in small molecule generation.
    • Now GAFF2 and RESP charge serve for small molecules (atom number is less than 175).
    • Now GAFF2 and AM1-BCC charge serve for bigger molecules (atom number is equal to or more than 175).

  7. 2025-04-18

    • Supported the protonated and deprotonated drug molecules in "Cyclodextrin" module.

  8. 2025-03-29

    • Added new "Drug Transmembrane" module to enhance transport prediction.
    • Optimized GPU-based simulation kernel for liposome self-assembly.

  9. 2025-03-18

    • Refined molecular parameter generation pipeline with RDKit and Open Babel support.

  10. 2025-02-05

    • New visualization features added to support micelle structure rendering.
    • Updated documentation and step-by-step tutorials in the Protocol section.

  11. 2025-01-15

    • Improved docking preprocessing to support flexible ligand replacement.
    • Enhanced solid dispersion module with polymer blend prediction models.

  12. 2024-12-01

    • Initial launch of FormulationMM platform with 5 core modules: Liposome, Micelle, Nanoparticle, Cyclodextrin, Solid Dispersion.
    • Database of excipients and formulation systems now accessible under the Database menu.

For historical versions and patch notes, contact: um.formulationmm@gmail.com