Accelerated molecular dynamics simulations of protein folding.
about
Molecular dynamics simulations: advances and applicationsGaussian Accelerated Molecular Dynamics: Unconstrained Enhanced Sampling and Free Energy CalculationEnhanced, targeted sampling of high-dimensional free-energy landscapes using variationally enhanced sampling, with an application to chignolinEmerging Computational Methods for the Rational Discovery of Allosteric Drugs.Detection of Side Chain Rearrangements Mediating the Motions of Transmembrane Helices in Molecular Dynamics Simulations of G Protein-Coupled Receptors.VP40 of the Ebola Virus as a Target for EboV Therapy: Comprehensive Conformational and Inhibitor Binding Landscape from Accelerated Molecular Dynamics.Study on the Application of the Combination of TMD Simulation and Umbrella Sampling in PMF Calculation for Molecular Conformational Transitions.Unconstrained Enhanced Sampling for Free Energy Calculations of Biomolecules: A ReviewGeneral trends of dihedral conformational transitions in a globular protein.Non-active site mutations disturb the loop dynamics, dimerization, viral budding and egress of VP40 of the Ebola virus.Molecular Dynamics Simulation of Tau Peptides for the Investigation of Conformational Changes Induced by Specific Phosphorylation Patterns.On the Helix Propensity in Generalized Born Solvent Descriptions of Modeling the Dark Proteome.Understanding the molecular basis of agonist/antagonist mechanism of human mu opioid receptor through gaussian accelerated molecular dynamics method.Simple MD-based model for oxidative folding of peptides and proteins.Efficiently sampling conformations and pathways using the concurrent adaptive sampling (CAS) algorithm.Hybrid 2D/3D-quantitative structure-activity relationship and modeling studies perspectives of pepstatin A analogs as cathepsin D inhibitors.Accelerating physical simulations of proteins by leveraging external knowledge.Gaussian Accelerated Molecular Dynamics in NAMD.Constructing a multidimensional free energy surface like a spider weaving a web.Exploring biomolecular energy landscapes.A molecular dynamics simulation study decodes the Zika virus NS5 methyltransferase bound to SAH and RNA analogue.Opportunities and Challenges in Building a Spatiotemporal Multi-scale Model of the Human Pancreatic β Cell.Probing helical transitions in a DNA duplex.Gaussian Accelerated Molecular Dynamics: Theory, Implementation, and Applications.Role of conformational dynamics in the evolution of novel enzyme function.Systems protobiology: origin of life in lipid catalytic networks
P2860
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P2860
Accelerated molecular dynamics simulations of protein folding.
description
2015 nî lūn-bûn
@nan
2015年の論文
@ja
2015年論文
@yue
2015年論文
@zh-hant
2015年論文
@zh-hk
2015年論文
@zh-mo
2015年論文
@zh-tw
2015年论文
@wuu
2015年论文
@zh
2015年论文
@zh-cn
name
Accelerated molecular dynamics simulations of protein folding.
@ast
Accelerated molecular dynamics simulations of protein folding.
@en
type
label
Accelerated molecular dynamics simulations of protein folding.
@ast
Accelerated molecular dynamics simulations of protein folding.
@en
prefLabel
Accelerated molecular dynamics simulations of protein folding.
@ast
Accelerated molecular dynamics simulations of protein folding.
@en
P2860
P50
P356
P1476
Accelerated molecular dynamics simulations of protein folding.
@en
P2093
Changsun Eun
P2860
P304
P356
10.1002/JCC.23964
P577
2015-06-12T00:00:00Z