Alexander D. MacKerell Jr.

2008
14	EE	Olgun Guvench, Shannon N. Greene, Ganesh Kamath, John W. Brady, Richard M. Venable, Richard W. Pastor, Alexander D. MacKerell Jr.: Additive empirical force field for hexopyranose monosaccharides. Journal of Computational Chemistry 29(15): 2543-2564 (2008)
2007
13	EE	Evelyn Mayaan, Adam Moser, Alexander D. MacKerell Jr., Darrin M. York: CHARMM force field parameters for simulation of reactive intermediates in native and thio-substituted ribozymes. Journal of Computational Chemistry 28(2): 495-507 (2007)
2005
12	EE	Alba T. Macias, Md. Younus Mia, Guanjun Xia, Jun Hayashi, Alexander D. MacKerell Jr.: Lead Validation and SAR Development via Chemical Similarity Searching; Application to Compounds Targeting the pY+3 Site of the SH2 Domain of p56lck. Journal of Chemical Information and Modeling 45(6): 1759-1766 (2005)
11	EE	Alba T. Macias, Alexander D. MacKerell Jr.: CH/ interactions involving aromatic amino acids: Refinement of the CHARMM tryptophan force field. Journal of Computational Chemistry 26(14): 1452-1463 (2005)
2004
10	EE	Alexander D. MacKerell Jr., Michael Feig, Charles L. Brooks III: Extending the treatment of backbone energetics in protein force fields: Limitations of gas-phase quantum mechanics in reproducing protein conformational distributions in molecular dynamics simulations. Journal of Computational Chemistry 25(11): 1400-1415 (2004)
9	EE	Sandeep Patel, Alexander D. MacKerell Jr., Charles L. Brooks III: CHARMM fluctuating charge force field for proteins: II Protein/solvent properties from molecular dynamics simulations using a nonadditive electrostatic model. Journal of Computational Chemistry 25(12): 1504-1514 (2004)
8	EE	Alexander D. MacKerell Jr.: Empirical force fields for biological macromolecules: Overview and issues. Journal of Computational Chemistry 25(13): 1584-1604 (2004)
2003
7	EE	Yongping Pan, Niu Huang, Sam Cho, Alexander D. MacKerell Jr.: Consideration of Molecular Weight during Compound Selection in Virtual Target-Based Database Screening. Journal of Chemical Information and Computer Sciences 43(1): 267-272 (2003)
2002
6	EE	I Jen Chen, Daxu Yin, Alexander D. MacKerell Jr.: Combined ab initio/empirical approach for optimization of Lennard-Jones parameters for polar-neutral compounds. Journal of Computational Chemistry 23(2): 199-213 (2002)
2000
5	EE	Alexander D. MacKerell Jr., Nilesh K. Banavali: All-atom empirical force field for nucleic acids: II. Application to molecular dynamics simulations of DNA and RNA in solution. Journal of Computational Chemistry 21(2): 105-120 (2000)
4	EE	Nicolas Foloppe, Alexander D. MacKerell Jr.: All-atom empirical force field for nucleic acids: I. Parameter optimization based on small molecule and condensed phase macromolecular target data. Journal of Computational Chemistry 21(2): 86-104 (2000)
3		Daniel Barsky, Nicolas Foloppe, Sarah Ahmadia, David M. Wilson III, Alexander D. MacKerell Jr.: New insights into the structure of abasic DNA from molecular dynamics simulations. Nucleic Acids Research 28(13): 2613-2626 (2000)
1998
2	EE	Daxu Yin, Alexander D. MacKerell Jr.: Combined ab initio/empirical approach for optimization of Lennard-Jones parameters. Journal of Computational Chemistry 19(3): 334-348 (1998)
1997
1	EE	Joseph J. Pavelites, Jiali Gao, Paul A. Bash, Alexander D. MacKerell Jr.: A molecular mechanics force field for NAD+ NADH, and the pyrophosphate groups of nucleotides. Journal of Computational Chemistry 18(2): 221-239 (1997)

Coauthor Index

1	Sarah Ahmadia	[3]
2	Nilesh K. Banavali	[5]
3	Daniel Barsky	[3]
4	Paul A. Bash	[1]
5	John W. Brady	[14]
6	Charles L. Brooks III	[9] [10]
7	I Jen Chen	[6]
8	Sam Cho	[7]
9	Michael Feig	[10]
10	Nicolas Foloppe	[3] [4]
11	Jiali Gao	[1]
12	Shannon N. Greene	[14]
13	Olgun Guvench	[14]
14	Jun Hayashi	[12]
15	Niu Huang	[7]
16	Ganesh Kamath	[14]
17	Alba T. Macias	[11] [12]
18	Evelyn Mayaan	[13]
19	Md. Younus Mia	[12]
20	Adam Moser	[13]
21	Yongping Pan	[7]
22	Richard W. Pastor	[14]
23	Sandeep Patel	[9]
24	Joseph J. Pavelites	[1]
25	Richard M. Venable	[14]
26	David M. Wilson III	[3]
27	Guanjun Xia	[12]
28	Daxu Yin	[2] [6]
29	Darrin M. York	[13]

Colors in the list of coauthors