[PDF][PDF] Molecular structure determination by convex, global underestimation of local energy minima.
AT Phillips, JB Rosen, VH Walke - … Minimization of Nonconvex Energy …, 1995 - Citeseer
… each attained by finding a local minimum of the potential energy function from a random starting
… to form a convex quadratic global underestimating function for the potential energy of all …
… to form a convex quadratic global underestimating function for the potential energy of all …
Convex global underestimation for molecular structure prediction
AT Phillips, JB Rosen, KA Dill - From Local to Global Optimization, 2001 - Springer
… of interest (a minimum of 2n + 1 conformations are required for construction of the convex …
search region) and then relaxed to a local energy minimum state by a Quasi-Newton (QN) …
search region) and then relaxed to a local energy minimum state by a Quasi-Newton (QN) …
Molecular structure prediction by global optimization
KA Dill, AT Phillips, JB Rosen - Developments in Global Optimization, 1997 - Springer
… (convex global underestimator) global optimization method is used to predict the minimum
energy structures, … serves as a basis for another quadratic underestimation over the reduced …
energy structures, … serves as a basis for another quadratic underestimation over the reduced …
[BOOK][B] Optimization in computational chemistry and molecular biology: local and global approaches
CA Floudas, PM Pardalos - 2000 - books.google.com
… our global optimization approach for protein structure prediction. … lying energy regions by
first locating low (free) energy minima … of a convex lower bounding function, L, in each domain. …
first locating low (free) energy minima … of a convex lower bounding function, L, in each domain. …
[PDF][PDF] Protein structure prediction and potential energy landscape analysis using continuous global minimization
KA Dill, AT Phillips, JB Rosen - … of the first annual international …, 1997 - dl.acm.org
… potential energy function … local minima with a convex function which underestimates all of
them, but which differs from them by the mini- Protein Structure Prediction and Potential Energy …
them, but which differs from them by the mini- Protein Structure Prediction and Potential Energy …
CGU: An algorithm for molecular structure prediction
KA Dill, AT Phillips, JB Rosen - … Applications: Part III: Molecular Structure …, 1997 - Springer
… then used to form a convex quadratic global underestimating function for the potential energy
of all known … by Convex Global Underestimation of Local Energy Minima, Dimacs Series in …
of all known … by Convex Global Underestimation of Local Energy Minima, Dimacs Series in …
A novel method using abstract convex underestimation in ab-initio protein structure prediction for guiding search in conformational feature space
XH Hao, GJ Zhang, XG Zhou… - IEEE/ACM Transactions …, 2015 - ieeexplore.ieee.org
… global minima energy value EG, then this region is deleted from the data structure; if not, then
the underestimation energy… continuous global optimization in molecular structure prediction…
the underestimation energy… continuous global optimization in molecular structure prediction…
Global optimization in protein docking using clustering, underestimation and semidefinite programming
… for computing a convex quadratic function that underestimates a set of points for determining
the global minimum of a function. We … Molecular structure determination by convex global …
the global minimum of a function. We … Molecular structure determination by convex global …
Protein structure and energy landscape dependence on sequence using a continuous energy function
KA Dill, AT Phillips, JB Rosen - Journal of Computational Biology, 1997 - liebertpub.com
… to fit all known local minima with a convex function which underestimates all of them, but …
Molecular structure determination by convex global underestimation of local energy minima, 181…
Molecular structure determination by convex global underestimation of local energy minima, 181…
Protein docking by the underestimation of free energy funnels in the space of encounter complexes
… function to underestimate a set of local energy minima and uses … an important role in protein
structure prediction, most current … the free energy can be locally underestimated by a convex …
structure prediction, most current … the free energy can be locally underestimated by a convex …