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  1. 1.   Waterless structures in the Protein Data Bank
  2. Wlodawer,Alexander; Dauter, Zbigniew; Rubach, Pawel; Minor, Wladek; Loch, Joanna I; Brzezinski, Dariusz; Gilski, Miroslaw; Jaskolski, Mariusz
  3. IUCrJ. 2024, Nov 01;
  1. 2.   Conformational coupling, bridge helix dynamics and active site dehydration in catalysis by RNA polymerase
  2. Seibold, S. A.; Singh, B. N.; Zhang, C. F.; Kireeva, M.; Domecq, C.; Bouchard, A.; Nazione, A. M.; Feig, M.; Cukier, R. I.; Coulombe, B.; Kashlev, M.; Hampsey, M.; Burton, Z. F.
  3. Biochimica Et Biophysica Acta-Gene Regulatory Mechanisms. 2010, Aug; 1799(8): 575-587.
  1. 3.   A theoretical study of anthrax lethal factor inhibition by a set of novel carbamimidolyl-aryl-vinyl-carboxamidines: A possible mechanism involving zinc-ligation by amidine
  2. Nguyen, T. L.; Panchal, R. G.; Topol, I. A.; Lane, D.; Kenny, T.; Burnett, J. C.; Hermone, A. R.; McGrath, C.; Burt, S. K.; Gussio, R.; Bavari, S.
  3. Journal of Molecular Structure-theochem. 2007, Nov; 821(1-3): 139-144.
  1. 4.   Expression of hypoxia-inducible carbonic anhydrases in brain tumors
  2. Proescholdt, M. A.; Mayer, C.; Kubitza, M.; Schubert, T.; Liao, S. Y.; Stanbridge, E. J.; Ivanov, S.; Oldfield, E. H.; Brawanski, A.; Merrill, M. J.
  3. Neuro-Oncology. 2005, OCT; 7(4): 465-475.
  1. 5.   Long-range ordering in water-halide ion interactions: A database study
  2. Prabakaran, P.; Singarayan, M. G.
  3. Chemistry Letters. 2004, DEC 5; 33(12): 1640-1641.
  1. 6.   The application of the effective fragment potential method to molecular anion solvation: A study of ten oxyanion-water clusters, A(-)(H2O)(1-4)
  2. Merrill, G. N.; Webb, S. P.
  3. Journal of Physical Chemistry A. 2004 108(5): 833-839.
  1. 7.   Molecular modeling calculations of HIV-1 reverse transcriptase nonnucleoside inhibitors: Correlation of binding energy with biological activity for novel 2-aryl-substituted benzimidazole analogues
  2. Smith, M. B. K.; Hose, B. M.; Hawkins, A.; Lipchock, J.; Farnsworth, D. W.; Rizzo, R. C.; Tirado-Rives, J.; Arnold, E.; Zhang, W.; Hughes, S. H.; Jorgensen, W. L.; Michejda, C. J.; Smith, R. H.
  3. Journal of Medicinal Chemistry. 2003 46(10): 1940-1947.
  1. 8.   Charge distributions in water and ion-water clusters
  2. Rashin, A. A.; Topol, I. A.; Tawa, G. J.; Burt, S. K.
  3. Chemical Physics Letters. 2001 335(3-4): 327-333.
  1. 9.   Structural complexity of hydrogen-bonded networks
  2. Arteca, G. A.; Cachau, R. E.; Valuri, K.
  3. Chemical Physics Letters. 2000 319(5-6): 719-724.
  1. 10.   Structural complexity and population analysis of hydrogen-bonded networks in proteins
  2. Arteca, G. A.; Luo, X.
  3. Theochem-Journal of Molecular Structure. 2000 501: 479-493.
  1. 11.   Monte Carlo calculations on HIV-1 reverse transcriptase complexed with the non-nucleoside inhibitor 8-Cl TIBO: contribution of the L100I and Y181C variants to protein stability and biological activity
  2. Smith, M. B. K.; Lamb, M. L.; Tirado-Rives, J.; Jorgensen, W. L.; Michejda, C. J.; Ruby, S. K.; Smith, R. H.
  3. Protein Engineering. 2000 13(6): 413-421.
  1. 12.   Calculation of substituent effects on pK(a) values for pyrone and dihydropyrone inhibitors of HIV-1 protease
  2. Topol, I. A.; Burt, S. K.; Rashin, A. A.; Erickson, J. W.
  3. Journal of Physical Chemistry. 2000 104(4): 866-872.
  1. 13.   On the structure and thermodynamics of solvated monoatomic ions using a hybrid solvation model
  2. Topol, I. A.; Tawa, G. J.; Burt, S. K.; Rashin, A. A.
  3. Journal of Chemical Physics. 1999 111(24): 10998-11014.
  1. 14.   Prediction of binding affinities for TIBO inhibitors of HIV-1 reverse transcriptase using Monte Carlo simulations in a linear response method
  2. Smith, R. H.; Jorgensen, W. L.; Tirado-Rives, J.; Lamb, M. L.; Janssen, P. A. J.; Michejda, C. J.; Smith, M. B. K.
  3. Journal of Medicinal Chemistry. 1998 41(26): 5272-5286.
  1. 15.   Reply to Comment On Electrostatic Potentials and Free Energies of Solvation of Polar and Charged Molecules
  2. Hummer, G.; Pratt, L. R.; Garcia, A. E.; Garde, S.; Berne, B. J.; Rick, S. W.
  3. Journal of Physical Chemistry B. 1998 102(19): 3841-3843.
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