HOW WELL CAN SIMULATION PREDICT PROTEIN FOLDING KINETICS AND THERMODYNAMICS? Export

@article{citeulike:166219, abstract = {▪ Abstract  Simulation of protein folding has come a long way in five years. Notably, new quantitative comparisons with experiments for small, rapidly folding proteins have become possible. As the only way to validate simulation methodology, this achievement marks a significant advance. Here, we detail these recent achievements and ask whether simulations have indeed rendered quantitative predictions in several areas, including protein folding kinetics, thermodynamics, and physics-based methods for structure prediction. We conclude by looking to the future of such comparisons between simulations and experiments.}, address = {Biophysics Program, Stanford University, Stanford, CA 94305 csnow@alum.mit.edu, Department of Chemistry, Stanford University, Stanford, CA 94305 esorin@stanford.edu, Department of Chemistry, Stanford University, Stanford, CA 94305 ymrhee@stanford.edu, Biophysics Program and Department of Chemistry, Stanford University, Stanford, CA 94305-5080 pande@stanford.edu.}, author = {Snow, Christopher D. and Sorin, Eric J. and Rhee, Young M. and Pande, Vijay S.}, citeulike-article-id = {166219}, citeulike-linkout-0 = {http://arjournals.annualreviews.org/doi/abs/10.1146/annurev.biophys.34.040204.144447}, citeulike-linkout-1 = {http://dx.doi.org/10.1146/annurev.biophys.34.040204.144447}, citeulike-linkout-2 = {http://view.ncbi.nlm.nih.gov/pubmed/15578911}, citeulike-linkout-3 = {http://www.hubmed.org/display.cgi?uids=15578911}, day = {29}, doi = {10.1146/annurev.biophys.34.040204.144447}, issn = {1056-8700}, journal = {Annual Review of Biophysics and Biomolecular Structure}, keywords = {md, methods, protein\_folding, statistical\_mechanics, stochastic\_processes}, month = {October}, number = {1}, pages = {43--69}, posted-at = {2009-04-30 12:01:14}, priority = {2}, title = {HOW WELL CAN SIMULATION PREDICT PROTEIN FOLDING KINETICS AND THERMODYNAMICS?}, url = {http://dx.doi.org/10.1146/annurev.biophys.34.040204.144447}, volume = {34}, year = {2005} }

TY - JOUR ID - citeulike:166219 L3 - citeulike-article-id:166219 N2 - ▪ Abstract  Simulation of protein folding has come a long way in five years. Notably, new quantitative comparisons with experiments for small, rapidly folding proteins have become possible. As the only way to validate simulation methodology, this achievement marks a significant advance. Here, we detail these recent achievements and ask whether simulations have indeed rendered quantitative predictions in several areas, including protein folding kinetics, thermodynamics, and physics-based methods for structure prediction. We conclude by looking to the future of such comparisons between simulations and experiments. IS - 1 JF - Annual Review of Biophysics and Biomolecular Structure SN - 1056-8700 AD - Biophysics Program, Stanford University, Stanford, CA 94305 csnow@alum.mit.edu, Department of Chemistry, Stanford University, Stanford, CA 94305 esorin@stanford.edu, Department of Chemistry, Stanford University, Stanford, CA 94305 ymrhee@stanford.edu, Biophysics Program and Department of Chemistry, Stanford University, Stanford, CA 94305-5080 pande@stanford.edu. EP - 69 TI - HOW WELL CAN SIMULATION PREDICT PROTEIN FOLDING KINETICS AND THERMODYNAMICS? VL - 34 SP - 43 KW - md KW - methods KW - protein_folding KW - statistical_mechanics KW - stochastic_processes AU - Snow, Christopher AU - Sorin, Eric AU - Rhee, Young AU - Pande, Vijay PY - 2005/10/29/ UR - http://dx.doi.org/10.1146/annurev.biophys.34.040204.144447 ER -