Recent Developments in Amber Biomolecular Simulations

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.

• Publication year

  2025

• Venue

  Journal of Chemical Information and Modeling

• Publication date

  2025-07-29

• Fields of study

  Medicine, Chemistry, Computer Science

• Identifiers
  DOI 10.1021/acs.jcim.5c01063PMID 40728386PMCID 12344759
• External record

  Open on Semantic Scholar

• Source metadata

  Semantic Scholar, PubMed

• No claims are published for this paper.

• No concepts are published for this paper.

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