Molecular dynamics and protein function. Export

@article{citeulike:610247, abstract = {A fundamental appreciation for how biological macromolecules work requires knowledge of structure and dynamics. Molecular dynamics simulations provide powerful tools for the exploration of the conformational energy landscape accessible to these molecules, and the rapid increase in computational power coupled with improvements in methodology makes this an exciting time for the application of simulation to structural biology. In this Perspective we survey two areas, protein folding and enzymatic catalysis, in which simulations have contributed to a general understanding of mechanism. We also describe results for the F(1) ATPase molecular motor and the Src family of signaling proteins as examples of applications of simulations to specific biological systems.}, address = {Department of Chemistry and Chemical Biology, Harvard University, Cambridge, MA 02138, USA. marci@tammy.harvard.edu}, author = {Karplus, M. and Kuriyan, J.}, citeulike-article-id = {610247}, citeulike-linkout-0 = {http://dx.doi.org/10.1073/pnas.0408930102}, citeulike-linkout-1 = {http://www.pnas.org/content/102/19/6679.abstract}, citeulike-linkout-2 = {http://www.pnas.org/content/102/19/6679.full.pdf}, citeulike-linkout-3 = {http://www.pnas.org/cgi/content/abstract/102/19/6679}, citeulike-linkout-4 = {http://view.ncbi.nlm.nih.gov/pubmed/15870208}, citeulike-linkout-5 = {http://www.hubmed.org/display.cgi?uids=15870208}, day = {10}, doi = {10.1073/pnas.0408930102}, issn = {0027-8424}, journal = {Proc Natl Acad Sci U S A}, keywords = {molecular\_dynamics, pedagogical}, month = {May}, number = {19}, pages = {6679--6685}, posted-at = {2009-02-18 21:49:56}, priority = {2}, title = {Molecular dynamics and protein function.}, url = {http://dx.doi.org/10.1073/pnas.0408930102}, volume = {102}, year = {2005} }

TY - JOUR ID - citeulike:610247 L3 - citeulike-article-id:610247 N2 - A fundamental appreciation for how biological macromolecules work requires knowledge of structure and dynamics. Molecular dynamics simulations provide powerful tools for the exploration of the conformational energy landscape accessible to these molecules, and the rapid increase in computational power coupled with improvements in methodology makes this an exciting time for the application of simulation to structural biology. In this Perspective we survey two areas, protein folding and enzymatic catalysis, in which simulations have contributed to a general understanding of mechanism. We also describe results for the F(1) ATPase molecular motor and the Src family of signaling proteins as examples of applications of simulations to specific biological systems. IS - 19 JF - Proc Natl Acad Sci U S A SN - 0027-8424 AD - Department of Chemistry and Chemical Biology, Harvard University, Cambridge, MA 02138, USA. marci@tammy.harvard.edu EP - 6685 TI - Molecular dynamics and protein function. VL - 102 SP - 6679 KW - molecular_dynamics KW - pedagogical AU - Karplus, M AU - Kuriyan, J PY - 2005/05/10/ UR - http://dx.doi.org/10.1073/pnas.0408930102 ER -