301 citations · 2.5k across the 73 of their papers we have counts for
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q-bio.BM2014
Aqueous Amino Acids and Proteins Near the Surface of Gold in Hydrophilic and Hydrophobic Force Fields
Grzegorz Nawrocki, Marek Cieplak
We calculate potentials of the mean force for twenty amino acids in the vicinity of the (111) surface of gold, for several dipeptides, and for some analogs of the side chains, usin…
q-bio.BM2014★ 52 cited
Amino acids and proteins at ZnO-water interfaces in molecular dynamics simulations
Grzegorz Nawrocki, Marek Cieplak
We determine potentials of the mean force for interactions of amino acids with four common surfaces of ZnO in aqueous solutions. The method involves all-atom molecular dynamics sim…
q-bio.BM2014★ 17 cited
Interactions of aqueous amino acids and proteins with the (110) surface of ZnS in molecular dynamics simulations
Grzegorz Nawrocki, Marek Cieplak
The growing usage of nanoparticles of zinc sulfide as quantum dots and biosensors calls for a theoretical assessment of interactions of ZnS with biomolecules. We employ the molecul…