MODELING WATER, THE HYDROPHOBIC EFFECT, AND ION SOLVATION Export

@article{citeulike:3292372, abstract = {Water plays a central role in the structures and properties of biomoleculesproteins, nucleic acids, and membranesand in their interactions with ligands and drugs. Over the past half century, our understanding of water has been advanced significantly owing to theoretical and computational modeling. However, like the blind men and the elephant, different models describe different aspects of water's behavior. The trend in water modeling has been toward finer-scale properties and increasing structural detail, at increasing computational expense. Recently, our labs and others have moved in the opposite direction, toward simpler physical models, focusing on more global propertieswater's thermodynamics, phase diagram, and solvation properties, for exampleand toward less computational expense. Simplified models can guide a better understanding of water in ways that complement what we learn from more complex models. One ultimate goal is more tractable models for computer simulations of biomolecules. This review gives a perspective from simple models on how the physical properties of wateras a pure liquid and as a solventderive from the geometric and hydrogen bonding properties of water.}, author = {Dill, Ken A. and Truskett, Thomas M. and Vlachy, Vojko and Lee, Barbara H.}, citeulike-article-id = {3292372}, citeulike-linkout-0 = {http://arjournals.annualreviews.org/doi/abs/10.1146/annurev.biophys.34.040204.144517}, citeulike-linkout-1 = {http://dx.doi.org/10.1146/annurev.biophys.34.040204.144517}, citeulike-linkout-2 = {http://view.ncbi.nlm.nih.gov/pubmed/15869376}, citeulike-linkout-3 = {http://www.hubmed.org/display.cgi?uids=15869376}, doi = {10.1146/annurev.biophys.34.040204.144517}, journal = {Annual Review of Biophysics and Biomolecular Structure}, keywords = {dna\_solution\_dielectric, solutions}, number = {1}, pages = {173--199}, posted-at = {2008-09-19 10:20:40}, priority = {4}, title = {MODELING WATER, THE HYDROPHOBIC EFFECT, AND ION SOLVATION}, url = {http://dx.doi.org/10.1146/annurev.biophys.34.040204.144517}, volume = {34}, year = {2005} }

TY - JOUR ID - citeulike:3292372 L3 - citeulike-article-id:3292372 N2 - Water plays a central role in the structures and properties of biomoleculesproteins, nucleic acids, and membranesand in their interactions with ligands and drugs. Over the past half century, our understanding of water has been advanced significantly owing to theoretical and computational modeling. However, like the blind men and the elephant, different models describe different aspects of water's behavior. The trend in water modeling has been toward finer-scale properties and increasing structural detail, at increasing computational expense. Recently, our labs and others have moved in the opposite direction, toward simpler physical models, focusing on more global propertieswater's thermodynamics, phase diagram, and solvation properties, for exampleand toward less computational expense. Simplified models can guide a better understanding of water in ways that complement what we learn from more complex models. One ultimate goal is more tractable models for computer simulations of biomolecules. This review gives a perspective from simple models on how the physical properties of wateras a pure liquid and as a solventderive from the geometric and hydrogen bonding properties of water. IS - 1 JF - Annual Review of Biophysics and Biomolecular Structure EP - 199 TI - MODELING WATER, THE HYDROPHOBIC EFFECT, AND ION SOLVATION VL - 34 SP - 173 KW - dna_solution_dielectric KW - solutions AU - Dill, Ken AU - Truskett, Thomas AU - Vlachy, Vojko AU - Lee, Barbara PY - 2005/// UR - http://dx.doi.org/10.1146/annurev.biophys.34.040204.144517 ER -