NAMD goes quantum: An integrative suite for hybrid simulations

Marcelo C.R. Melo, Rafael C. Bernardi, Till Rudack, Maximilian Scheurer, Christoph Riplinger, James C. Phillips, Julio D.C. Maia, Gerd B. Rocha, João V. Ribeiro, John E. Stone, Frank Neese, Klaus Schulten, Zaida Ann Luthey-Schulten

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