Accel Brands (United States)

A point‐charge force field for molecular mechanics simulations of proteins based on condensed‐phase quantum mechanical calculations

Yong Duan, Chun Wu, Shibasish Chowdhury et al. · Journal of Computational Chemistry · 2003 · 4.5K citations

Natural Sciences, Biochemistry, Biophysics +17

A model of fibrin formation based on crystal structures of fibrinogen and fibrin fragments complexed with synthetic peptides

Zhe Yang, Igor Mochalkin, Russell F. Doolittle · Proceedings of the National Academy of Sciences · 2000 · 203 citations · Full text

Life Sciences, Biochemistry, Biophysics +17

MOIL: A program for simulations of macromolecules

Ron Elber, Adrián E. Roitberg, Carlos Simmerling et al. · Computer Physics Communications · 1995 · 157 citations · Full text

Natural Sciences, Biophysics, Chemistry +17

The dominant role of side‐chain backbone interactions in structural realization of amino acid code. ChiRotor: A side‐chain prediction algorithm based on side‐chain backbone interactions

Velin Z. Spassov, Lisa Yan, P.K. Flook · Protein Science · 2007 · 116 citations · Full text

Life Sciences, Biochemistry, Bioinformatics +17

Theoretical investigation of the CO2 + OH- .fwdarw. HCO3- reaction in the gas and aqueous phases

Zhihui Peng, Kenneth M. Merz · Journal of the American Chemical Society · 1993 · 54 citations

Natural Sciences, Chemistry, Inorganic Chemistry +9