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Cieplak, Piotr., Kollman, Peter A. (1988) Calculation of the free energy of association of nucleic acid bases in vacuo and water solution. Journal Of The American Chemical Society, 110 (12) 3734-3739 doi:10.1021/ja00220a003

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Reference TypeJournal (article/letter/editorial)
TitleCalculation of the free energy of association of nucleic acid bases in vacuo and water solution
JournalJournal Of The American Chemical Society
AuthorsCieplak, Piotr.Author
Kollman, Peter A.Author
Year1988 (June)Volume110
Issue12
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/ja00220a003Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID1424304Long-form Identifiermindat:1:5:1424304:0
GUID0
Full ReferenceCieplak, Piotr., Kollman, Peter A. (1988) Calculation of the free energy of association of nucleic acid bases in vacuo and water solution. Journal Of The American Chemical Society, 110 (12) 3734-3739 doi:10.1021/ja00220a003
Plain TextCieplak, Piotr., Kollman, Peter A. (1988) Calculation of the free energy of association of nucleic acid bases in vacuo and water solution. Journal Of The American Chemical Society, 110 (12) 3734-3739 doi:10.1021/ja00220a003
In(1988, June) Journal Of The American Chemical Society Vol. 110 (12) American Chemical Society (ACS)

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Cieplak, Piotr, Caldwell, James, Kollman, Peter (2001) Molecular mechanical models for organic and biological systems going beyond the atom centered two body additive approximation: aqueous solution free energies of methanol and N-methyl acetamide, nucleic acid base, and amide hydrogen bonding and chloroform/water partition coefficients of the nucleic acid bases. Journal of Computational Chemistry, 22 (10). 1048-1057 doi:10.1002/jcc.1065
Cieplak, Piotr, Lybrand, Terry P., Kollman, Peter A. (1987) Calculation of free energy changes in ion–water clusters using nonadditive potentials and the Monte Carlo method. The Journal of Chemical Physics, 86 (11). 6393-6403 doi:10.1063/1.452428
Kollman, Peter, Lybrand, Terry, Cieplak, Piotr (1988) Reply to: ‘‘Comment on ‘Water–water and water–ion potential functions including terms for many‐body effects,’ T. P. Lybrand and P. Kollman, J. Chem. Phys. 83, 2923 (1985) and on ‘Calculation of free energy changes in ion–water clusters using nonadditive potential and the Monte Carlo methods,’ P. Cieplak, T. P. Lybrand, and P. Kollman, J. Chem. Phys. 86, 6393 (1987)’’. The Journal of Chemical Physics, 88 (12). 8017 doi:10.1063/1.454263
Dang, Liem X., Kollman, Peter A. (1990) Molecular dynamics simulations study of the free energy of association of 9-methyladenine and 1-methylthymine bases in water. Journal Of The American Chemical Society, 112 (2) 503-507 doi:10.1021/ja00158a005
Leach, Andrew R., Kollman, Peter A. (1992) Theoretical investigations of novel nucleic acid bases. Journal Of The American Chemical Society, 114 (10) 3675-3683 doi:10.1021/ja00036a016
Cieplak, Piotr, Bash, Paul, Singh, U. Chandra, Kollman, Peter A. (1987) A theoretical study of tautomerism in the gas phase and aqueous solution: a combined use of state-of-the-art ab initio quantum mechanics and free energy-perturbation methods. Journal Of The American Chemical Society, 109 (21) 6283-6289 doi:10.1021/ja00255a010
Meng, Elaine C., Cieplak, Piotr, Caldwell, James W., Kollman, Peter A. (1994) Accurate Solvation Free Energies of Acetate and Methylammonium Ions Calculated with a Polarizable Water Model. Journal Of The American Chemical Society, 116 (26) 12061-12062 doi:10.1021/ja00105a060
Miller, Jennifer L., Kollman, Peter A. (1996) Solvation Free Energies of the Nucleic Acid Bases. The Journal of Physical Chemistry, 100 (20). 8587-8594 doi:10.1021/jp9605358
Cieplak, Piotr, Pearlman, David A., Kollman, Peter A. (1994) Walking on the free energy hypersurface of the 18‐crown‐6 ion system using free energy derivatives. The Journal of Chemical Physics, 101 (1). 627-633 doi:10.1063/1.468117
Eksterowicz, John E., Miller, Jennifer L., Kollman, Peter A. (1997) Calculation of Chloroform/Water Partition Coefficients for the N-Methylated Nucleic Acid Bases. The Journal of Physical Chemistry B, 101 (50). 10971-10975 doi:10.1021/jp972440r
Cornell, Wendy D., Cieplak, Piotr, Bayly, Christopher I., Kollman, Peter A. (1993) Application of RESP charges to calculate conformational energies, hydrogen bond energies, and free energies of solvation. Journal Of The American Chemical Society, 115 (21) 9620-9631 doi:10.1021/ja00074a030
 
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