Concepedia

Combining Conformational Flexibility and Continuum Electrostatics for Calculating pKas in Proteins

Roxana E. Georgescu, Emil Alexov, M. R. Gunner

Biophysical Journal · 2002 · 470 citations · 123 references

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References

123

SCOP: A structural classification of proteins database for the investigation of sequences and structures

Alexey G. Murzin, Steven E. Brenner, Tim Hubbard et al. · Journal of Molecular Biology · 1995 · 6.3K citations

, , +11

Accurate Calculation of Hydration Free Energies Using Macroscopic Solvent Models

Doree Sitkoff, Kim A. Sharp, Barry Honig · The Journal of Physical Chemistry · 1994 · 2.1K citations

, , +12

Biophysical chemistry

S.P. Spragg · Nature · 1979 · 1.7K citations

A rapid finite difference algorithm, utilizing successive over‐relaxation to solve the Poisson–Boltzmann equation

Anthony Nicholls, Barry Honig · Journal of Computational Chemistry · 1991 · 1.3K citations

, , +16

Calculating the electrostatic potential of molecules in solution: Method and error assessment

Michael K. Gilson, Kim A. Sharp, Barry Honig · Journal of Computational Chemistry · 1988 · 1.1K citations

, , +15