D. Yin

All-atom empirical potential for molecular modeling and dynamics studies of proteins.

Alexander D. MacKerell, M. Karplus, D. Nguyen, 1998, The journal of physical chemistry. B.

Combined ab initio/empirical approach for optimization of Lennard–Jones parameters

Alexander D. MacKerell, D. Yin, 1998 .

Chemical substituent effect on pyridine permeability and mechanistic insight from computational molecular descriptors.

Alexander D. MacKerell, J. Polli, D. Yin, 2006, Molecular pharmaceutics.

Ab Initio Calculations on the Use of Helium and Neon as Probes of the van der Waals Surfaces of Molecules

Alexander D. MacKerell, Daxu Yin, D. Yin, 1996 .

Combined ab initio/empirical approach for optimization of Lennard‐Jones parameters for polar‐neutral compounds

Alexander D. MacKerell, I JEN CHEN, DAXU YIN, 2002, J. Comput. Chem..

Combined ab initio/empirical approach for optimization of Lennard-Jones parameters

Alexander D. MacKerell, Daxu Yin, D. Yin, 1998, J. Comput. Chem..