Electrostatics in computational protein design.
Catalytic activity and protein-protein recognition have proven to be significant challenges for computational protein design. Electrostatic interactions are crucial for these and other protein functions, and therefore accurate modeling of electrostatics is necessary for successfully advancing protein design into the realm of protein function. This review focuses on recent progress in modeling electrostatic interactions in computational protein design, with particular emphasis on continuum models.
Vizcarra
Christina L
CL
Division of Chemistry and Chemical Engineering, Division of Biology and Howard Hughes Medical Institute, California Institute of Technology, Pasadena, California 91125, USA.
Mayo
Stephen L
SL
D003198:Computer Simulation; D008962:Models, Theoretical; D011487:Protein Conformation; D011506:Proteins / Q000737:chemistry*; D055672:Static Electricity
D011506:Proteins