
[Related PubMed/MEDLINE] Total Number of Papers: 21



[Display Entries]


[Entries Per Page]

per page


Page Control


Page: of




Abbreviation 
: EDS 
Long Form 
: enveloping distribution sampling 

No. 
Year 
Title 
Cooccurring Abbreviation 
1 
2018 
Accelerated Enveloping Distribution Sampling: Enabling Sampling of Multiple End States while Preserving Local Energy Minima. 
MD 
2 
2018 
Comparison of freeenergy methods using a tripeptidewater model system. 
BAR, TI 
3 
2016 
Computational scheme for pHdependent binding free energy calculation with explicit solvent. 
BAR, BZ, HREM, IPS, PME 
4 
2016 
Replica exchange enveloping distribution sampling (REEDS): A robust method to estimate multiple freeenergy differences from a single simulation. 
MD, REEDS, REEDS, TI 
5 
2015 
Enhancing constantpH simulation in explicit solvent with a twodimensional replica exchange method. 
SGC 
6 
2014 
Constant pH Molecular Dynamics in Explicit Solvent with Enveloping Distribution Sampling and Hamiltonian Exchange. 
HREX 
7 
2014 
Integrated Hamiltonian sampling: a simple and versatile method for free energy simulations and conformational sampling. 
IHS, ITS 
8 
2013 
Combination of Enveloping Distribution Sampling (EDS) of a SoftCore ReferenceState Hamiltonian with OneStep Perturbation to Predict the Effect of Side Chain Substitution on the Relative Stability of Right and LeftHelical Folds of betaPeptides. 
MD, OSP 
9 
2013 
Efficient Combination of Environment Change and Alchemical Perturbation within the Enveloping Distribution Sampling (EDS) Scheme: TwinSystem EDS and Application to the Determination of OctanolWater Partition Coefficients. 
 
10 
2013 
Enhanced conformational sampling using enveloping distribution sampling. 
 
11 
2013 
Free Enthalpy Differences between alpha, pi, and 310Helices of an Atomic Level FineGrained Alanine DecaPeptide Solvated in Supramolecular CoarseGrained Water. 
FG/CG 
12 
2012 
Assessment of enveloping distribution sampling to calculate relative free enthalpies of binding for eight netropsinDNA duplex complexes in aqueous solution. 
 
13 
2012 
Enhanced Sampling in Free Energy Calculations: Combining SGLD with the Bennett's Acceptance Ratio and Enveloping Distribution Sampling Methods. 
BAR, SGLD 
14 
2012 
Free enthalpies of replacing water molecules in protein binding pockets. 
 
15 
2012 
Using enveloping distribution sampling to compute the free enthalpy difference between right and lefthanded helices of a betapeptide in solution. 
AD 
16 
2011 
Comparison of enveloping distribution sampling and thermodynamic integration to calculate binding free energies of phenylethanolamine Nmethyltransferase inhibitors. 
TI 
17 
2011 
On the Use of Enveloping Distribution Sampling (EDS) to Compute Free Enthalpy Differences between Different Conformational States of Molecules: Application to 310, alpha, and piHelices. 
TI 
18 
2010 
BallandStick Local Elevation Umbrella Sampling: Molecular Simulations Involving Enhanced Sampling within Conformational or Alchemical Subspaces of Low Internal Dimensionalities, Minimal Irrelevant Volumes, and ProblemAdapted Geometries. 
LE, US 
19 
2009 
Comparison of three enveloping distribution sampling Hamiltonians for the estimation of multiple free energy differences from a single simulation. 
 
20 
2009 
Simple, Efficient, and Reliable Computation of Multiple Free Energy Differences from a Single Simulation: A Reference Hamiltonian Parameter Update Scheme for Enveloping Distribution Sampling (EDS). 
 
21 
2008 
Multiple free energies from a single simulation: extending enveloping distribution sampling to nonoverlapping phasespace distributions. 
 
