3 Matching Annotations
  1. Oct 2021
  2. pubs.acs.org pubs.acs.org
    ff19SB: Amino-Acid-Specific Protein Backbone Parameters Trained against Quantum Mechanics Energy Surfaces in Solution
    1
    1. zhentg 06 Oct 2021
      we recommend use of OPC with ff19SB

      so I need to use ff19SB and OPC water in the future???

      Amber force field water model
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    pubs.acs.org/doi/10.1021/acs.jctc.9b00591
  3. May 2020
  4. Local file Local file
    Amber20.pdf
    1
    1. zhentg 14 May 2020
      OPCwater model in combination with the ff99SB was found to improve, significantly, accuracy of atomistic simulationsof IDPs

      Myc is a typical IDP. To model Myc, force field must be carefully chosen.

      force field

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  5. cbio.bmt.tue.nl cbio.bmt.tue.nl
    PumMa » Theory » Potentials
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    1. zhentg 07 May 2020

      This is a good overview of the common potentials of a force field

      molecular dynamics MD force field
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    cbio.bmt.tue.nl/pumma/index.php/Theory/Potentials