Multiscale coarse-graining of the protein energy landscape
about
Design and application of implicit solvent models in biomolecular simulationsCooperative Interactions between Different Classes of Disordered Proteins Play a Functional Role in the Nuclear Pore Complex of Baker's YeastComputational model for protein unfolding simulation.A comparison of reduced coordinate sets for describing protein structure.A nonadaptive origin of a beneficial trait: in silico selection for free energy of folding leads to the neutral emergence of mutational robustness in single domain proteins.Amino acid alphabet reduction preserves fold information contained in contact interactions in proteins.Necessity of high-resolution for coarse-grained modeling of flexible proteins.Fast side chain replacement in proteins using a coarse-grained approach for evaluating the effects of mutation during evolution.Nuclear pore complex protein sequences determine overall copolymer brush structure and function.Biophysical and structural considerations for protein sequence evolutionAtomic-level structure characterization of an ultrafast folding mini-protein denatured state.COFFDROP: A Coarse-Grained Nonbonded Force Field for Proteins Derived from All-Atom Explicit-Solvent Molecular Dynamics Simulations of Amino AcidsThe OPEP protein model: from single molecules, amyloid formation, crowding and hydrodynamics to DNA/RNA systemsGay-Berne and electrostatic multipole based coarse-grain potential in implicit solvent.CAMELOT: A machine learning approach for coarse-grained simulations of aggregation of block-copolymeric protein sequences.Further optimization of a hybrid united-atom and coarse-grained force field for folding simulations: Improved backbone hydration and interactions between charged side chains.Characterization of folding mechanisms of Trp-cage and WW-domain by network analysis of simulations with a hybrid-resolution modelRecent advances in transferable coarse-grained modeling of proteins.Drug delivery through the skin: molecular simulations of barrier lipids to design more effective noninvasive dermal and transdermal delivery systems for small molecules, biologics, and cosmetics.Perspective: Coarse-grained models for biomolecular systems.A theoretical view of protein dynamics.Multiscale ensemble modeling of intrinsically disordered proteins: p53 N-terminal domain.CG2AA: backmapping protein coarse-grained structures.Protein folding pathways and state transitions described by classical equations of motion of an elastic network model.Model parameters for simulation of physiological lipidsMolecular dynamics studies on the conformational transitions of adenylate kinase: a computational evidence for the conformational selection mechanism.Coarse grain lipid-protein molecular interactions and diffusion with MsbA flippase.Testing the transferability of a coarse-grained model to intrinsically disordered proteins.Refining amino acid hydrophobicity for dynamics simulation of membrane proteins.Rigorous coarse-graining for the dynamics of linear systems with applications to relaxation dynamics in proteins.Bottom-up coarse-grained models with predictive accuracy and transferability for both structural and thermodynamic properties of heptane-toluene mixtures.The multiscale coarse-graining method. XI. Accurate interactions based on the centers of charge of coarse-grained sites.The multiscale coarse-graining method. VII. Free energy decomposition of coarse-grained effective potentials.Computer Simulations of Soft Matter: Linking the ScalesA Review of Multiscale Computational Methods in Polymeric MaterialsSampling large conformational transitions: adenylate kinase as a testing ground
P2860
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P2860
Multiscale coarse-graining of the protein energy landscape
description
2010 nî lūn-bûn
@nan
2010 թուականի Յունիսին հրատարակուած գիտական յօդուած
@hyw
2010 թվականի հունիսին հրատարակված գիտական հոդված
@hy
2010年の論文
@ja
2010年論文
@yue
2010年論文
@zh-hant
2010年論文
@zh-hk
2010年論文
@zh-mo
2010年論文
@zh-tw
2010年论文
@wuu
name
Multiscale coarse-graining of the protein energy landscape
@ast
Multiscale coarse-graining of the protein energy landscape
@en
type
label
Multiscale coarse-graining of the protein energy landscape
@ast
Multiscale coarse-graining of the protein energy landscape
@en
prefLabel
Multiscale coarse-graining of the protein energy landscape
@ast
Multiscale coarse-graining of the protein energy landscape
@en
P2860
P1476
Multiscale coarse-graining of the protein energy landscape
@en
P2093
Lanyuan Lu
Ronald D Hills
P2860
P304
P356
10.1371/JOURNAL.PCBI.1000827
P577
2010-06-24T00:00:00Z