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» Protein Model Representation and Construction
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BMCBI
2008
146views more  BMCBI 2008»
13 years 8 months ago
Can molecular dynamics simulations help in discriminating correct from erroneous protein 3D models?
Background: Recent approaches for predicting the three-dimensional (3D) structure of proteins such as de novo or fold recognition methods mostly rely on simplified energy potentia...
Jean-François Taly, Antoine Marin, Jean-Fra...
BMCBI
2008
87views more  BMCBI 2008»
13 years 8 months ago
Volume-based solvation models out-perform area-based models in combined studies of wild-type and mutated protein-protein interfa
Background: Empirical binding models have previously been investigated for the energetics of protein complexation (G models) and for the influence of mutations on complexation (i....
Salim Bougouffa, Jim Warwicker
CPM
2004
Springer
168views Combinatorics» more  CPM 2004»
14 years 2 months ago
The Protein Sequence Design Problem in Canonical Model on 2D and 3D Lattices
In this paper we investigate the protein sequence design (PSD) problem (also known as the inverse protein folding problem) under the Canonical model 4 on 2D and 3D lattices [12, 25...
Piotr Berman, Bhaskar DasGupta, Dhruv Mubayi, Robe...
BMCBI
2010
132views more  BMCBI 2010»
13 years 8 months ago
New statistical potential for quality assessment of protein models and a survey of energy functions
Background: Scoring functions, such as molecular mechanic forcefields and statistical potentials are fundamentally important tools in protein structure modeling and quality assess...
Dmitry Rykunov, András Fiser
NAR
2008
73views more  NAR 2008»
13 years 8 months ago
LocalMove: computing on-lattice fits for biopolymers
Given an input Protein Data Bank file (PDB) for a protein or RNA molecule, LocalMove is a web server that determines an on-lattice representation for the input biomolecule. The we...
Yann Ponty, R. Istrate, E. Porcelli, Peter Clote