Exploring the lower part of discrete polymer model energy landscapes Export

@article{citeulike:5976050, abstract = {We present a generic, problem-independent algorithm for exploration of the low-energy portion of the energy landscape of discrete systems and apply it to the energy landscape of lattice proteins. Starting from a set of optimal and near-optimal conformations derived from a constraint-based search technique, we are able to selectively investigate the lower part of lattice protein energy landscapes in two and three dimensions. This novel approach allows, in contrast to exhaustive enumeration, for an efficient calculation of optimal and near-optimal structures below a given energy threshold and is only limited by the available amount of memory. A straightforward application of the algorithm is the calculation of barrier trees (representing the energy landscape), which then allows dynamics studies based on landscape theory.}, author = {Wolfinger, Michael T. and Will, Sebastian and Hofacker, Ivo L. and Backofen, Rolf and Stadler, Peter F.}, citeulike-article-id = {5976050}, citeulike-linkout-0 = {http://dx.doi.org/10.1209/epl/i2005-10577-0}, doi = {10.1209/epl/i2005-10577-0}, journal = {EPL (Europhysics Letters)}, keywords = {energy\_landscape, hp\_model}, number = {4}, pages = {726--732}, posted-at = {2009-10-20 19:34:16}, priority = {2}, title = {Exploring the lower part of discrete polymer model energy landscapes}, url = {http://dx.doi.org/10.1209/epl/i2005-10577-0}, volume = {74}, year = {2006} }

TY - JOUR ID - citeulike:5976050 L3 - citeulike-article-id:5976050 N2 - We present a generic, problem-independent algorithm for exploration of the low-energy portion of the energy landscape of discrete systems and apply it to the energy landscape of lattice proteins. Starting from a set of optimal and near-optimal conformations derived from a constraint-based search technique, we are able to selectively investigate the lower part of lattice protein energy landscapes in two and three dimensions. This novel approach allows, in contrast to exhaustive enumeration, for an efficient calculation of optimal and near-optimal structures below a given energy threshold and is only limited by the available amount of memory. A straightforward application of the algorithm is the calculation of barrier trees (representing the energy landscape), which then allows dynamics studies based on landscape theory. IS - 4 JF - EPL (Europhysics Letters) EP - 732 TI - Exploring the lower part of discrete polymer model energy landscapes VL - 74 SP - 726 KW - energy_landscape KW - hp_model AU - Wolfinger, Michael AU - Will, Sebastian AU - Hofacker, Ivo AU - Backofen, Rolf AU - Stadler, Peter PY - 2006/// UR - http://dx.doi.org/10.1209/epl/i2005-10577-0 ER -