[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 …

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) …

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 …

[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. …

[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

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 …

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

Global optimization in protein docking using clustering, underestimation and semidefinite programming

RF Marcia, JC Mitchell, SJ Wright - Optimisation Methods and …, 2007 - Taylor & Francis
… 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

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…

Protein docking by the underestimation of free energy funnels in the space of encounter complexes

Y Shen, IC Paschalidis, P Vakili… - PLoS computational …, 2008 - journals.plos.org
… 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