Combining Conformational Flexibility and Continuum Electrostatics for Calculating pKas in Proteins

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

Structural Classification, Structural Bioinformatics, Proteins Database +13

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

Engineering, Chemical Analysis, Altmetric Attention Score +24

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

Numerical Analysis, Finite Element Method, Electrostatic Program Delphi +15

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

Biophysical Modeling, Del Phi, Engineering +19