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Creators/Authors contains: "Lee, Tai-Sung"

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  1. ; ; ; ; (, Journal of Chemical Theory and Computation)
  2. ; ; ; ; ; ; ; ; ; ; et al (, Journal of Chemical Information and Modeling)
    Amber is a molecular dynamics (MD) software package first conceived by Peter Kollman, his lab and collaborators to simulate biomolecular systems. The pmemd module is available as a serial version for central processing units (CPUs), NVIDIA and Advanced Micro Devices (AMD) graphics processing unit (GPU) versions as well as Message Passing Interface (MPI) parallel versions. Advanced capabilities include thermodynamic integration, replica exchange MD and accelerated MD methods. A brief update to the software and recently added capabilities is described in this Application Note. 
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    Free, publicly-accessible full text available July 29, 2026
  3. ; ; ; ; (, The Journal of Chemical Physics)
  4. ; ; ; ; ; ; ; ; ; ; et al (, Journal of Chemical Information and Modeling)