The minimized dead-end elimination criterion and its application to protein redesign in a hybrid scoring and search algorithm for computing partition functions over molecular ensembles.
about
Computational design of a PDZ domain peptide inhibitor that rescues CFTR activityHigh-resolution protein structure determination starting with a global fold calculated from exact solutions to the RDC equationsPredicting resistance mutations using protein design algorithmsProtein design using continuous rotamersCalculating ensemble averaged descriptions of protein rigidity without samplingStructure-guided deimmunization of therapeutic proteinsPredicting the tolerated sequences for proteins and protein interfaces using RosettaBackrub flexible backbone designProtein side-chain modeling with a protein-dependent optimized rotamer library.Computational approaches for rational design of proteins with novel functionalitiescomets (Constrained Optimization of Multistate Energies by Tree Search): A Provable and Efficient Protein Design Algorithm to Optimize Binding Affinity and Specificity with Respect to Sequence.Automated NMR Assignment and Protein Structure Determination using Sparse Dipolar Coupling Constraints.LUTE (Local Unpruned Tuple Expansion): Accurate Continuously Flexible Protein Design with General Energy Functions and Rigid Rotamer-Like Efficiency.Achievements and Challenges in Computational Protein Design.Parallel Computational Protein Design.Protein side-chain resonance assignment and NOE assignment using RDC-defined backbones without TOCSY dataA Bayesian approach for determining protein side-chain rotamer conformations using unassigned NOE data.Designing specific protein-protein interactions using computation, experimental library screening, or integrated methodsDead-end elimination with perturbations (DEEPer): a provable protein design algorithm with continuous sidechain and backbone flexibility.A HAUSDORFF-BASED NOE ASSIGNMENT ALGORITHM USING PROTEIN BACKBONE DETERMINED FROM RESIDUAL DIPOLAR COUPLINGS AND ROTAMER PATTERNSAn efficient parallel algorithm for accelerating computational protein design.Computational methods for de novo protein design and its applications to the human immunodeficiency virus 1, purine nucleoside phosphorylase, ubiquitin specific protease 7, and histone demethylases.A generic program for multistate protein design.Protein loop closure using orientational restraints from NMR dataAn energy-based conformer library for side chain optimization: improved prediction and adjustable sampling.OSPREY: protein design with ensembles, flexibility, and provable algorithms.An automated flow for directed evolution based on detection of promiscuous scaffolds using spatial and electrostatic properties of catalytic residues.A measure of the broad substrate specificity of enzymes based on 'duplicate' catalytic residuesComputational structure-based redesign of enzyme activity.Computational design of protein-small molecule interfaces.Protein design algorithms predict viable resistance to an experimental antifolateNMR structural inference of symmetric homo-oligomersA critical analysis of computational protein design with sparse residue interaction graphs.Progress in computational protein design.BWM*: A Novel, Provable, Ensemble-based Dynamic Programming Algorithm for Sparse Approximations of Computational Protein Design.Algorithm for backrub motions in protein design.Computer-aided design of functional protein interactions.Engineering the acyltransferase substrate specificity of assembly line polyketide synthases.Computational design gains momentum in enzyme catalysis engineering.Data driven flexible backbone protein design.OSPREY Predicts Resistance Mutations Using Positive and Negative Computational Protein Design.
P2860
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P2860
The minimized dead-end elimination criterion and its application to protein redesign in a hybrid scoring and search algorithm for computing partition functions over molecular ensembles.
description
2008 nî lūn-bûn
@nan
2008 թուականի Յուլիսին հրատարակուած գիտական յօդուած
@hyw
2008 թվականի հուլիսին հրատարակված գիտական հոդված
@hy
2008年の論文
@ja
2008年論文
@yue
2008年論文
@zh-hant
2008年論文
@zh-hk
2008年論文
@zh-mo
2008年論文
@zh-tw
2008年论文
@wuu
name
The minimized dead-end elimina ...... ions over molecular ensembles.
@ast
The minimized dead-end elimina ...... ions over molecular ensembles.
@en
The minimized dead-end elimina ...... ions over molecular ensembles.
@nl
type
label
The minimized dead-end elimina ...... ions over molecular ensembles.
@ast
The minimized dead-end elimina ...... ions over molecular ensembles.
@en
The minimized dead-end elimina ...... ions over molecular ensembles.
@nl
prefLabel
The minimized dead-end elimina ...... ions over molecular ensembles.
@ast
The minimized dead-end elimina ...... ions over molecular ensembles.
@en
The minimized dead-end elimina ...... ions over molecular ensembles.
@nl
P2093
P2860
P356
P1476
The minimized dead-end elimina ...... ions over molecular ensembles.
@en
P2093
Bruce R Donald
Ivelin Georgiev
Ryan H Lilien
P2860
P304
P356
10.1002/JCC.20909
P577
2008-07-01T00:00:00Z