May 3, 2017 · Our study also represents validity for the use of newly implemented algorithm via NWChem-AMBER interface in a condensed phase simulation.
Combined quantum-mechanical molecular mechanics calculations with NWChem and AMBER: Excited state properties of green fluorescent protein chromophore analogue ...
May 3, 2017 · Combined quantum mechanical molecular mechanics (QM/MM) calculations have become a popular methodology for efficient and accurate ...
May 3, 2017 · Our approach is based on a combined quantum mechanics molecular mechanics (QM/MM) methodology, which incorporates high level coupled cluster theory for the ...
Combined quantum-mechanical molecular mechanics calculations with NWChem and AMBER: Excited state properties of green fluorescent protein chromophore analogue ...
Dec 2, 2020 · Bibliographic details on Combined quantum-mechanical molecular mechanics calculations with NWChem and AMBER: Excited state properties of ...
Combined Quantum-Mechanical Molecular Mechanics Calculations with NWChem and. AMBER: Excited State Properties of Green Fluorescent Protein Chromophore
Combined quantum-mechanical molecular mechanics calculations with NWChem and AMBER: Excited state properties of green fluorescent protein chromophore analogue ...
Jun 18, 2019 · ... Mechanical Molecular Mechanics Calculations with NWChem and AMBER: Excited State Properties of Green Fluorescent Protein Chromophore Analogue
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