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Methods in Enzymology|January 11, 1991
Molecular modeling and dynamics of biologically active peptides: application to neuropeptide YA D MacKerellJournal of Computer-Aided Molecular Design|April 1, 1988
Molecular modeling and dynamics of neuropeptide YA D MacKerellBiophysical Journal|June 4, 1999
Intrinsic conformational properties of deoxyribonucleosides: implicated role for cytosine in the equilibrium among the A, B, and Z forms of DNAN Foloppe, A D MacKerellBiochimica Et Biophysica Acta|February 25, 1987
Chemical modification of human aldehyde dehydrogenase by physiological substrateA D MacKerell, R PietruszkoBiochimica Et Biophysica Acta|August 24, 2014
CHARMM additive and polarizable force fields for biophysics and computer-aided drug designK Vanommeslaeghe, A D MacKerellJournal of Chemical Information and Modeling|November 14, 2012
Automation of the CHARMM General Force Field (CGenFF) I: bond perception and atom typingK Vanommeslaeghe, A D MacKerellThe Journal of Physical Chemistry Letters|July 16, 2011
Development of the CHARMM Force Field for LipidsR W Pastor, A D MackerellEuropean Biophysics Journal : EBJ|July 22, 1999
Structure, force, and energy of a double-stranded DNA oligonucleotide under tensile loadsA D MacKerell, G U LeeJournal of the American Chemical Society|July 13, 2001
Reevaluation of stereoelectronic contributions to the conformational properties of the phosphodiester and N3'-phosphoramidate moieties of nucleic acidsN K Banavali, A D MacKerellNucleic Acids Research|July 27, 2001
Re-examination of the intrinsic, dynamic and hydration properties of phosphoramidate DNAN K Banavali, A D MacKerellPageof 4