Recommending Hartree-Fock Theory with London-Dispersion and Basis-Set-Superposition Corrections for the Optimization or Quantum Refinement of Protein Structures
Lars Goerigk, Charles A Collyer, Jeffrey R Reimers
JOURNAL OF PHYSICAL CHEMISTRY B | AMER CHEMICAL SOC | Published : 2014
Related Projects (1)
Awarded by German Academy of Sciences
Awarded by Australian Research Council (ARC)
Awarded by Intersect Australia Ltd
L.G. acknowledges funding from the German Academy of Sciences "Leopoldine until March 2014 (Grant LPDS 2011-11). In April 2014, L.G. became a recipient of an Australian Research Council (ARC) Discovery Early Career Researcher Award (Project DE140100550). Funding from the Selby Scientific Foundation 2014 Selby Research Award is also acknowledged. Finally, we are also grateful for the generous allocation of computing time from the National Computational Infrastructure (NCI) National Facility under the National Computational Merit Allocation Scheme and from Intersect Australia Ltd (Projects d63, fk5, and r88).