Article
Dead-End Elimination with a Polarizable Force Field Repacks PCNA Structures.
Biophysical journal - 18 Aug 2015
LuCore Stephen D, Litman Jacob M, Powers Kyle T, Gao Shibo, Lynn Ava M, Tollefson William T A, Fenn Timothy D, Washington M Todd, Schnieders Michael J
Abstract excerpt
A balance of van der Waals, electrostatic, and hydrophobic forces drive the folding and packing of protein side chains. Although such interactions between residues are often approximated as being pairwise additive, in reality, higher-order many-body contributions that depend on environment drive hydrophobic collapse and cooperative electrostatics. Beginning from dead-end elimination, we derive the first...
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