Publications of D. M. Soumpasis

Soumpasis, D. M.; Georgalis, Y.: Potential of mean force treatment of salt-mediated protein crystallization. Biophysical Journal 72 (6), pp. 2770 - 2774 (1997)

Garcia, A. E.; Hummer, G.; Soumpasis, D. M.: Hydration of an alpha-helical peptide: Comparison of theory and molecular dynamics simulation. Proteins-Structure Function and Genetics 27 (4), pp. 471 - 480 (1997)

Garcia, A. E.; Hummer, G.; Soumpasis, D. M.: A statistical mechanical description of biomolecular hydration. Biophysical Journal 72 (2), p. MP460 - MP460 (1997)

von Kitzing, E.; Soumpasis, D. M.: Electrostatics of a simple membrane model using Green's functions formalism. Biophysical Journal 71 (2), pp. 795 - 810 (1996)

Tung, C. S.; Soumpasis, D. M.: Structural prediction of B-DNA duplexes based on coordinates of the phosphorus atoms. Biophysical Journal 70 (2), p. SUPM3 - SUPM3 (1996)

Tung, C. S.; Soumpasis, D. M.: Structural prediction of A- and B-DNA duplexes based on coordinates of the phosphorus atoms. Biophysical Journal 70 (2), pp. 917 - 923 (1996)

Hummer, G.; Garcia, A. E.; Soumpasis, D. M.: A statistical mechanical description of biomolecular hydration. Faraday Discussions (103), pp. 175 - 189 (1996)

Georgalis, Y.; Schuler, J.; Frank, J.; Soumpasis, D. M.; Saenger, W.: Protein crystallization screening through scattering techniques. Advances in Colloid and Interface Science 58 (1), pp. 57 - 86 (1995)

Hummer, G.; Garcia, A. E.; Soumpasis, D. M.: Hydration of nucleic-acid fragments comparison of theory and experiment for high-resolution crystal-structures of RNA, DNA and DNA-drug complexes. Biophysical Journal 68 (5), pp. 1639 - 1652 (1995)

Hummer, G.; Soumpasis, D. M.: Statistical mechanical treatment of the structural hydration of biological macromolecules: results for B-DNA. Physical Review E 50 (6), pp. 5085 - 5095 (1994)

Hummer, G.; Soumpasis, D. M.; Neumann, M.: Computer simulation of aqueous Na-Cl electrolytes. Journal of Physics-Condensed Matter 6 (Suppl. Suppl. 23), pp. A141 - A144 (1994)

Garcia, A. E.; Soumpasis, D. M.; Jovin, T. M.: Dynamics and relative stabilities of parallel- and antiparallel-stranded DNA duplexes. Biophysical Journal 66 (6), pp. 1742 - 1755 (1994)

Tung, C. S.; Soumpasis, D. M.; Hummer, G.: An extension of the rigorous base-unit oriented description of nucleic acid structures. Journal of Biomolecular Structure & Dynamics 11 (6), pp. 1327 - 1344 (1994)

Hummer, G.; Soumpasis, D. M.; Neumann, M.: Computer simulation do not support CL-CL pairing in aqueous NaCL solution. Molecular Physics 81 (5), pp. 1155 - 1163 (1994)

Garcia, A. E.; Hummer, G.; Soumpasis, D. M.: Theoretical description of protein hydration: a potential of mean force calculation based on 2 and 3 particle correlation functions. Biophysical Journal 66 (2), p. A130 - A130 (1994)

Hummer, G.; Garcia, A. E.; Soumpasis, D. M.: The hydration of A-DNA, B-DNA, and Z-DNA studied with the potentials of mean force approach. Biophysical Journal 66 (2), p. A25 - A25 (1994)

Hummer, G.; Soumpasis, D. M.: Computation of the water density distribution at the ice-water interface using the potentials-of-mean-force expansion. Physical Review E 49 (1), pp. 591 - 596 (1994)

Hummer, G.; Soumpasis, D. M.; Neumann, M.: Pair correlations in an NACL-SPC water model simulations versus extended rism computations (Molecular Physics, Vol 77, Pg 769, 1992). Molecular Physics 78 (2), p. 497 - 497 (1993)

Hummer, G.; Soumpasis, D. M.: Correlations and free energies in restricted primitive model descriptions of electrolytes. Journal of Chemical Physics 98 (1), pp. 581 - 591 (1993)

Klement, R.; Soumpasis, D. M.; Jovin, T. M.: Computation of ionic distributions around charged biomolecular structures: Results for right-handed and left-handed DNA. Proceedings of the National Academy of Sciences of the United States of America 88 (11), pp. 4631 - 4635 (1991)