about
An Integrated Framework Advancing Membrane Protein Modeling and DesignServerification of molecular modeling applications: the Rosetta Online Server that Includes Everyone (ROSIE)Computational protein design: the Proteus software and selected applications.Using the RosettaSurface algorithm to predict protein structure at mineral surfaces.Extending RosettaDock with water, sugar, and pH for prediction of complex structures and affinities for CAPRI rounds 20-27A partition function approximation using elementary symmetric functions.Protein-protein docking with dynamic residue protonation statesThe first crystal structure of human RNase 6 reveals a novel substrate-binding and cleavage site arrangementBWM*: A Novel, Provable, Ensemble-based Dynamic Programming Algorithm for Sparse Approximations of Computational Protein Design.The Rosetta All-Atom Energy Function for Macromolecular Modeling and Design.Coupled molecular dynamics and continuum electrostatic method to compute the ionization pKa's of proteins as a function of pH. Test on a large set of proteins.A detailed representation of electrostatic energy in prediction of sequence and pH dependence of protein stability.Structure-based pKa prediction provides a thermodynamic basis for the role of histidines in pH-induced conformational transitions in dengue virus.Web-accessible molecular modeling with Rosetta: The Rosetta Online Server that Includes Everyone (ROSIE).Structure of tick-borne encephalitis virus and its neutralization by a monoclonal antibody.Comparing pairwise-additive and many-body generalized Born models for acid/base calculations and protein design.Comparing three stochastic search algorithms for computational protein design: Monte Carlo, replica exchange Monte Carlo, and a multistart, steepest-descent heuristic.Monte Carlo simulations of proteins at constant pH with generalized Born solvent, flexible sidechains, and an effective dielectric boundary.
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description
2012 nî lūn-bûn
@nan
2012年の論文
@ja
2012年論文
@yue
2012年論文
@zh-hant
2012年論文
@zh-hk
2012年論文
@zh-mo
2012年論文
@zh-tw
2012年论文
@wuu
2012年论文
@zh
2012年论文
@zh-cn
name
Rapid calculation of protein pKa values using Rosetta.
@ast
Rapid calculation of protein pKa values using Rosetta.
@en
type
label
Rapid calculation of protein pKa values using Rosetta.
@ast
Rapid calculation of protein pKa values using Rosetta.
@en
prefLabel
Rapid calculation of protein pKa values using Rosetta.
@ast
Rapid calculation of protein pKa values using Rosetta.
@en
P2860
P1433
P1476
Rapid calculation of protein pKa values using Rosetta.
@en
P2093
Krishna Praneeth Kilambi
P2860
P304
P356
10.1016/J.BPJ.2012.06.044
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P577
2012-08-01T00:00:00Z