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2 research outcomes, page 1 of 1
  • publication . Preprint . 2018
    Open Access
    Authors:
    Swenson, David W.H.; Prinz, Jan-Hendrik; Noe, Frank; Chodera, John D.; Bolhuis, Peter G.;
    Publisher: Cold Spring Harbor Laboratory
    Project: NIH | MOUSE GENETICS (2P30CA008748-43), NIH | The role of reorganizatio... (5R01GM121505-02), EC | ScaleCell (772230), EC | E-CAM (676531)

    <jats:p>Transition path sampling techniques allow molecular dynamics simulations of complex systems to focuson rare <jats:italic>dynamical events</jats:italic>, providing insight into mechanisms and the ability to calculate rates inaccessibleby ordinary dynamics simulat...

  • publication . Preprint . 2018
    Open Access
    Authors:
    Swenson, David W.H.; Prinz, Jan-Hendrik; Noe, Frank; Chodera, John D.; Bolhuis, Peter G.;
    Publisher: Cold Spring Harbor Laboratory
    Project: EC | ScaleCell (772230), EC | E-CAM (676531), NIH | The role of reorganizatio... (5R01GM121505-02), NIH | MOUSE GENETICS (2P30CA008748-43)

    <jats:p>The OpenPathSampling (OPS) package provides an easy-to-use framework to apply transition path sampling methodologies to complex molecular systems with a minimum of effort. Yet, the extensibility of OPS allows for the exploration of new path sampling algorithms b...

2 research outcomes, page 1 of 1
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