Molecular interaction of human serum albumin with paracetamol: Spectroscopic and molecular modeling studies

The Protein Data Bank

Helen M. Berman · Nucleic Acids Research · 2000 · 39.8K citations

Life Sciences, Biochemistry, Bioinformatics +10

Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function

Garrett M. Morris, David S. Goodsell, Robert S. Halliday et al. · Journal of Computational Chemistry · 1998 · 10.8K citations

Life Sciences, Bioinformatics, Molecular Biology +17

Thermodynamics of protein association reactions: forces contributing to stability

Philip D. Ross, Sankaran Subramanian · Biochemistry · 1981 · 5.5K citations

Natural Sciences, Biochemistry, Biophysics +15

Iterative partial equalization of orbital electronegativity—a rapid access to atomic charges

Johann Gasteiger, Mario Marsili · Tetrahedron · 1980 · 4.1K citations

Natural Sciences, Chemistry, Physics +10

Atomic structure and chemistry of human serum albumin

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

Life Sciences, Biochemistry, Chemistry +12