Using Selectively Applied Accelerated Molecular Dynamics to Enhance Free Energy Calculations.
about
Exploring the role of receptor flexibility in structure-based drug discoveryElucidation of Ligand-Dependent Modulation of Disorder-Order Transitions in the Oncoprotein MDM2Quantitative predictions of binding free energy changes in drug-resistant influenza neuraminidaseMolecular-level simulation of pandemic influenza glycoproteins.Improved Reweighting of Accelerated Molecular Dynamics Simulations for Free Energy Calculation.Studying functional dynamics in bio-molecules using accelerated molecular dynamics.Routine Access to Millisecond Time Scale Events with Accelerated Molecular DynamicsImplementation of Accelerated Molecular Dynamics in NAMDCorrecting for the free energy costs of bond or angle constraints in molecular dynamics simulationsEnhanced Lipid Diffusion and Mixing in Accelerated Molecular Dynamics.Improved Binding Free Energy Predictions from Single-Reference Thermodynamic Integration Augmented with Hamiltonian Replica ExchangeStatistical mechanics and molecular dynamics in evaluating thermodynamic properties of biomolecular recognition.Accounting for receptor flexibility and enhanced sampling methods in computer-aided drug design.Unconstrained Enhanced Sampling for Free Energy Calculations of Biomolecules: A ReviewPlasticity of CYP2B enzymes: structural and solution biophysical methods.Free energy landscape of G-protein coupled receptors, explored by accelerated molecular dynamicsMultiscale Free Energy Simulations: An Efficient Method for Connecting Classical MD Simulations to QM or QM/MM Free Energies Using Non-Boltzmann Bennett Reweighting SchemesEnhanced molecular dynamics sampling of drug target conformations.Evaluation of enhanced sampling provided by accelerated molecular dynamics with Hamiltonian replica exchange methods.Localization of Millisecond Dynamics: Dihedral Entropy from Accelerated MD.Molecular cloning, relative expression, and structural analysis of pattern recognition molecule β-glucan binding protein from mangrove crab Episesarma tetragonum.Self-assembly of the full-length amyloid Aβ42 protein in dimers.
P2860
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P2860
Using Selectively Applied Accelerated Molecular Dynamics to Enhance Free Energy Calculations.
description
2010 nî lūn-bûn
@nan
2010 թուականի Հոկտեմբերին հրատարակուած գիտական յօդուած
@hyw
2010 թվականի հոտեմբերին 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
Using Selectively Applied Acce ...... ance Free Energy Calculations.
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Using Selectively Applied Acce ...... ance Free Energy Calculations.
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Using Selectively Applied Acce ...... ance Free Energy Calculations.
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type
label
Using Selectively Applied Acce ...... ance Free Energy Calculations.
@ast
Using Selectively Applied Acce ...... ance Free Energy Calculations.
@en
Using Selectively Applied Acce ...... ance Free Energy Calculations.
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prefLabel
Using Selectively Applied Acce ...... ance Free Energy Calculations.
@ast
Using Selectively Applied Acce ...... ance Free Energy Calculations.
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Using Selectively Applied Acce ...... ance Free Energy Calculations.
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P2860
P356
P1476
Using Selectively Applied Acce ...... ance Free Energy Calculations.
@en
P2093
Jeff Wereszczynski
P2860
P304
P356
10.1021/CT100322T
P577
2010-10-13T00:00:00Z