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Journal of Computational Chemistry, ISSN 0192-8651, 01/2019, Volume 40, Issue 1, pp. 39 - 50
Journal Article
Computational and Theoretical Chemistry, ISSN 2210-271X, 04/2014, Volume 1034, pp. 7 - 16
[Display omitted] •Guiding principles are established for FMO calculations of DNA.•Charge neutralization of the phosphate is mandatory.•Electron correlation is... 
Fragment molecular orbital method | Molecular orbital | Polynucleotide | DNA | Interaction energy | MP2 | BASES | PROTEIN | SPIN | CHEMISTRY, PHYSICAL | ESTROGEN-RECEPTOR | STACKING | WATER | Phosphates | Genetic research | Information science | Analysis
Journal Article
Chemical Physics Letters, ISSN 0009-2614, 07/2013, Volume 577, pp. 131 - 137
Hydrogen bonding network of solvating water molecules contributing to the stability of the most stable conformation of solvated Aβ monomer. Green dot-lines... 
PROTEIN | A-BETA(1-42) | MECHANISM | ALZHEIMERS-DISEASE | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | FRAGMENT | CHEMISTRY | CHEMISTRY, PHYSICAL | APPROXIMATE COMPUTATIONAL METHOD | PEPTIDE | BRAIN
Journal Article
Physical chemistry chemical physics : PCCP, ISSN 1463-9076, 06/2014, Volume 16, Issue 22, pp. 10310 - 10344
Recent developments in the fragment molecular orbital (FMO) method for theoretical formulation, implementation, and application to nano and biomolecular... 
Models, Molecular | Quantum Theory | Proteins - chemistry | Chemistry, Pharmaceutical | Nanotechnology | Electrons
Journal Article
Journal Article