Double-Site Binding and Anti-/Pro-oxidation of Luteolin on Bovine Serum Albumin Mediated by Copper(II) Coordination

A smooth particle mesh Ewald method

Ulrich Essmann, L. Perera, Max L. Berkowitz et al. · The Journal of Chemical Physics · 1995 · 22.9K citations

Natural Sciences, Chemistry, Biomolecular Modeling +13

Development and testing of a general amber force field

Junmei Wang, Romain M. Wolf, James W. Caldwell et al. · Journal of Computational Chemistry · 2004 · 19.6K citations

Natural Sciences, Biophysics, Chemistry +17

ff14SB: Improving the Accuracy of Protein Side Chain and Backbone Parameters from ff99SB

James Maier, Carmenza Martinez, Koushik Kasavajhala et al. · Journal of Chemical Theory and Computation · 2015 · 11.1K citations

Natural Sciences, Biochemistry, Biophysics +17

Atomic structure and chemistry of human serum albumin

Xiao He, Daniel C. Carter · Nature · 1992 · 3.8K citations

Life Sciences, Biochemistry, Chemistry +12

Fast, efficient generation of high‐quality atomic charges. AM1‐BCC model: II. Parameterization and validation

Araz Jakalian, D. B. Jack, Christopher I. Bayly · Journal of Computational Chemistry · 2002 · 3.5K citations

Natural Sciences, Chemistry, Physics +15