• Molsoft L.L.C.: ICM Docking and Screening

    Virtual Screening - Scoring The scoring function should give a good approximation of the binding free energy between a ligand and a receptor and is usu...

    www.molsoft.com/docking.html

  • PyRx - Virtual Screening Tool / News

    Implemented Inverse Virtual Screening for AutoDock and Vina. What this mean is that users can now select multiple Macromolecules as well as multiple Lig...

    sourceforge.net/p/pyrx/news/

  • Molsoft L.L.C.: ICM-VLS ( u V /u irtual u L /u igand u S /u cr

    Ligand-based virtual screening can be performed using the Atomic Property Field (APF) method developed by MolSoft ( Totrov 2008). APF is a 3D pharmacop...

    www.molsoft.com/vls.html

  • ...Potent Ligands for Estrogen Receptor β by Structure-Based...

    With virtual screening based on a structure optimized through molecular dynamics (MD) and bioassays, 18 potent ligands of estrogen receptor (ER) β were ...

    pubs.acs.org/doi/abs/10.1021/jm100369g

  • APHL 2021 Newborn Screening Virtual Symposium

    Due to the COVID-19 pandemic, the APHL 2021 Newborn Screening Symposium will once again be a virtual meeting. It will be held over the course of three w...

    www.aphl.org/conferences/NBS-Symposiums/Pa...

  • Acme Screening Room

    VIRTUAL SCREENING: Against The Current VIRTUAL SCREENING: The Boys in Red Hats VIRTUAL SCREENING: Can You Bring it VIRTUAL SCREE...

    www.acmescreeningroom.org

  • iGEMDOCK

    A Graphical Environment for Recognizing Pharmacological Interactions and Virtual Screening Pharmacological interactions are useful for identifying lead com...

    gemdock.life.nctu.edu.tw/dock/...

  • SwissSimilarity

    from OpenBabel. . This fast non-superpositional shape-based virtual screening developed by and implemented in openbabel 2.3.2, uses one-dimensional desc...

    www.swisssimilarity.ch/faq.php

  • ACS Pharmacology & Translational Science

    Discovery of TMPRSS2 Inhibitors from Virtual Screening as a Potential Treatment of COVID-19 Xin Hu*, Jonathan H. Shrimp, Hui Guo, Miao Xu, Catherine Z. ...

    pubs.acs.org/journal/aptsfn

  • ...Evaluation of 2D Fingerprint and 3D Shape Similarity Method...

    Virtual screening (VS) can be accomplished in either ligand- or structure-based methods. In recent times, an increasing number of 2D fingerprint and 3...

    pubs.acs.org/doi/abs/10.1021/ci300030u

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