Glycated human hemoglobin (HbA1c): functional characteristics and molecular modeling studies

An all atom force field for simulations of proteins and nucleic acids

Scott J. Weiner, Peter A. Kollman, Dzung T. Nguyen et al. · Journal of Computational Chemistry · 1986 · 3.4K citations

Natural Sciences, Biochemistry, Chemistry +17

Structure and energetics of ligand binding to proteins: <i>Escherichia coli</i> dihydrofolate reductase‐trimethoprim, a drug‐receptor system

Pnina Dauber‐Osguthorpe, Victoria A. Roberts, David J. Osguthorpe et al. · Proteins Structure Function and Bioinformatics · 1988 · 2.1K citations

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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

Natural Sciences, Chemistry, Computational Biophysics +16

Calculation of the total electrostatic energy of a macromolecular system: Solvation energies, binding energies, and conformational analysis

Michael K. Gilson, Barry Honig · Proteins Structure Function and Bioinformatics · 1988 · 853 citations

Natural Sciences, Biochemistry, Biophysics +17

Focusing of electric fields in the active site of Cu‐Zn superoxide dismutase: Effects of ionic strength and amino‐acid modification

Isaac Klapper, R. Hagstrom, Richard Fine et al. · Proteins Structure Function and Bioinformatics · 1986 · 759 citations

Natural Sciences, Biochemistry, Biophysics +15