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Alexander D. MacKerell Jr.: [Publications] [Author Rank by year] [Co-authors] [Prefers] [Cites] [Cited by]

Publications of Author

  1. I Jen Chen, Daxu Yin, Alexander D. MacKerell Jr.
    Combined ab initio/empirical approach for optimization of Lennard-Jones parameters for polar-neutral compounds. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2002, v:23, n:2, pp:199-213 [Journal]
  2. 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. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2000, v:21, n:2, pp:86-104 [Journal]
  3. 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. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2000, v:21, n:2, pp:105-120 [Journal]
  4. Alexander D. MacKerell Jr.
    Empirical force fields for biological macromolecules: Overview and issues. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2004, v:25, n:13, pp:1584-1604 [Journal]
  5. 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. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2004, v:25, n:11, pp:1400-1415 [Journal]
  6. 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. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2004, v:25, n:12, pp:1504-1514 [Journal]
  7. 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. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1997, v:18, n:2, pp:221-239 [Journal]
  8. Daxu Yin, Alexander D. MacKerell Jr.
    Combined ab initio/empirical approach for optimization of Lennard-Jones parameters. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1998, v:19, n:3, pp:334-348 [Journal]
  9. Alba T. Macias, Alexander D. MacKerell Jr.
    CH/ interactions involving aromatic amino acids: Refinement of the CHARMM tryptophan force field. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2005, v:26, n:14, pp:1452-1463 [Journal]
  10. 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. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:6, pp:1759-1766 [Journal]
  11. Yongping Pan, Niu Huang, Sam Cho, Alexander D. MacKerell Jr.
    Consideration of Molecular Weight during Compound Selection in Virtual Target-Based Database Screening. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2003, v:43, n:1, pp:267-272 [Journal]
  12. 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. [Citation Graph (0, 0)][DBLP]
    Nucleic Acids Research, 2000, v:28, n:13, pp:2613-2626 [Journal]

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