Population based reweighting of scaled molecular dynamics
about
Principles and Overview of Sampling Methods for Modeling Macromolecular Structure and DynamicsGaussian Accelerated Molecular Dynamics: Unconstrained Enhanced Sampling and Free Energy CalculationTargeting electrostatic interactions in accelerated molecular dynamics with application to protein partial unfolding.Extensive Citrullination Promotes Immunogenicity of HSP90 through Protein Unfolding and Exposure of Cryptic Epitopes.The ligand binding mechanism to purine nucleoside phosphorylase elucidated via molecular dynamics and machine learning.Kinetics of protein-ligand unbinding via smoothed potential molecular dynamics simulations.Improved Reweighting of Accelerated Molecular Dynamics Simulations for Free Energy Calculation.Accelerated molecular dynamics simulations of protein folding.Insights into the Structural Dynamics of Nucleocytoplasmic Transport of tRNA by Exportin-t.Unconstrained Enhanced Sampling for Free Energy Calculations of Biomolecules: A ReviewFree energy landscape of G-protein coupled receptors, explored by accelerated molecular dynamicsGeneral trends of dihedral conformational transitions in a globular protein.Estimation of kinetic and thermodynamic ligand-binding parameters using computational strategies.Molecular Dynamics Simulation of Tau Peptides for the Investigation of Conformational Changes Induced by Specific Phosphorylation Patterns.Advillin acts upstream of phospholipase C ϵ1 in steroid-resistant nephrotic syndrome.Systematic Dissociation Pathway Searches Guided by Principal Component Modes.Impact of protein-ligand solvation and desolvation on transition state thermodynamic properties of adenosine A2A ligand binding kinetics.Focused conformational sampling in proteins.Gaussian Accelerated Molecular Dynamics in NAMD.A Phosphorylation-Induced Turn Defines the Alzheimer's Disease AT8 Antibody Epitope on the Tau Protein.Atomistic molecular dynamics simulations of bioactive engrailed 1 interference peptides (EN1-iPeps).Gaussian Accelerated Molecular Dynamics: Theory, Implementation, and Applications.Protein-ligand (un)binding kinetics as a new paradigm for drug discovery at the crossroad between experiments and modellingExploring the PXR ligand binding mechanism with advanced Molecular Dynamics methods
P2860
Q26749162-3EA3FA2C-D3B0-48E6-AEAC-5C48A42902F7Q27301372-6250802E-D902-4C79-877F-E188F31B34D1Q30381463-C31520F1-8243-472B-BE2F-5F72495D6EE8Q30390882-BD6AFF9A-7010-4040-8A7D-0CFEB12D421CQ30618624-3E269184-324C-4CE0-822A-27687E62187FQ30655357-52A49B35-BB01-405E-A426-DFB661B970F6Q33893633-331F8399-0229-4976-B432-0F157261DC54Q35804657-F12DB44F-C6B0-460E-ADAA-39538E653897Q36753768-994792B7-D216-4EC8-882E-6BC49793EC71Q37114199-689D9C4B-EF16-467A-B60B-BB19D95407A1Q37651766-5CAA3DBB-82E2-41BA-81CC-C7BB4671F781Q37656141-38BE5383-1ADB-429A-9BFB-C4B0CC6B855CQ38737287-6FD00FAE-E8F6-4C33-B9A5-28A22ECACE2EQ39099836-911E292F-1718-4F25-8F07-496AA48973EBQ46179728-4ABD7FF2-6E1E-4785-A79B-E1111F3B89CAQ46310467-7EC03A65-CF75-4A5C-8212-FF39271CA6F2Q47225761-8AA6CF01-82D5-407B-8A16-FAC8FEE5807EQ47373683-8721FAAC-F526-448B-ADCB-CCDF61AB60CFQ48050759-5080E367-A30C-48C3-B54A-6E95ECB16B70Q48226579-32023E47-A34B-4349-9419-2DF073A49003Q55364585-94091145-C131-42B5-941A-1A93D0103D03Q55481649-0EF2DA5D-B9FE-419C-8786-F634C38A2CB6Q56961708-2C0643AE-F891-4B3D-9652-D27E29EB5B86Q58577529-3335D4B4-B99A-48EA-B59A-D6FADD494C3E
P2860
Population based reweighting of scaled molecular dynamics
description
2013 nî lūn-bûn
@nan
2013 թուականի Յուլիսին հրատարակուած գիտական յօդուած
@hyw
2013 թվականի հուլիսին հրատարակված գիտական հոդված
@hy
2013年の論文
@ja
2013年論文
@yue
2013年論文
@zh-hant
2013年論文
@zh-hk
2013年論文
@zh-mo
2013年論文
@zh-tw
2013年论文
@wuu
name
Population based reweighting of scaled molecular dynamics
@ast
Population based reweighting of scaled molecular dynamics
@en
type
label
Population based reweighting of scaled molecular dynamics
@ast
Population based reweighting of scaled molecular dynamics
@en
prefLabel
Population based reweighting of scaled molecular dynamics
@ast
Population based reweighting of scaled molecular dynamics
@en
P2093
P2860
P356
P1476
Population based reweighting of scaled molecular dynamics
@en
P2093
César Augusto F de Oliveira
William Sinko
Yinglong Miao
P2860
P304
12759-12768
P356
10.1021/JP401587E
P407
P577
2013-07-11T00:00:00Z