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Adding a collection with the ligands of Souza et al., Nat. Commun. 2020 #30

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Adding a collection with the ligands of Souza et al., Nat. Commun. 2020 #30

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Commits on Apr 26, 2023

  1. Kicstart martini_v3.0.0_small_molecules_2020PCTSouzaNatCommun.itp col… 

    …lection
    @ricalessandri
    ricalessandri committed Apr 26, 2023
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Commits on Apr 28, 2023

  1. Add also: BENZ, PHEN, TOLU, INDO (completing SI Fig 1 of 2020PCTSouza… 

    … NatCommun
    @ricalessandri
    ricalessandri committed Apr 28, 2023
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  2. Add BARICITINIB

    @ricalessandri
    ricalessandri committed Apr 28, 2023
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  3. Add ADENOSINE

    @ricalessandri
    ricalessandri committed Apr 28, 2023
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  4. Add ADRENALINE itp

    @ricalessandri
    ricalessandri committed Apr 28, 2023
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  5. Add PROPANOLOL

    @ricalessandri
    ricalessandri committed Apr 28, 2023
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  6. Add OBETICHOLIC ACID model

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    ricalessandri committed Apr 28, 2023
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  7. Add DASATINIB model

    @ricalessandri
    ricalessandri committed Apr 28, 2023
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Commits on May 13, 2023

  1. Move 2020PCTSouzaNatCommun.itp to collections/

    @ricalessandri
    ricalessandri committed May 13, 2023
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  2. Add adrenaline GRO file

    @ricalessandri
    ricalessandri committed May 13, 2023
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  3. Add ADENOSINE gro file

    @ricalessandri
    ricalessandri committed May 13, 2023
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  4. Use beadtype U instead of VS in DASA.itp

    @ricalessandri
    ricalessandri committed May 13, 2023
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  5. Add GROs of BARI, DASA, OCHO, PRN

    @ricalessandri
    ricalessandri committed May 13, 2023
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