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List of works by Carol K. Hall

A multiscale coarse-grained model to predict the molecular architecture and drug transport properties of modified chitosan hydrogels

scientific article published on 06 November 2020

Advancing Peptide-Based Biorecognition Elements for Biosensors Using in-Silico Evolution

scientific article published on 16 May 2018

Amino acid signature enables proteins to recognize modified tRNA.

scientific article published on 14 February 2014

Analysis of polymer molecular weight distributions in aqueous two-phase systems

scientific article published on September 1, 1991

Anatomy of a selectively coassembled β-sheet peptide nanofiber

scientific article published on 18 February 2020

Clustering and phase separation in mixtures of dipolar and active particles

scientific article published on 02 April 2020

Computer simulation study of amyloid fibril formation by palindromic sequences in prion peptides ⬇️

scientific article published on May 9, 2011

Development of a Coarse-Grained Model of Chitosan for Predicting Solution Behavior

scientific article published on 30 June 2016

Differential Misfolding Properties of Glaucoma-Associated Olfactomedin Domains from Humans and Mice

scientific article published on 12 March 2019

Dynamical self-assembly of dipolar active Brownian particles in two dimensions

scientific article published on 01 March 2020

Encapsulation Efficiency and Micellar Structure of Solute-Carrying Block Copolymer Nanoparticles ⬇️

scientific article published on June 14, 2011

Extended Concerted Rotation Technique Enhances the Sampling Efficiency of the Computational Peptide-Design Algorithm.

scientific article published on 12 October 2017

Extending the PRIME model for protein aggregation to all 20 amino acids ⬇️

scientific article published on November 1, 2010

Fibrillization Propensity for Short Designed Hexapeptides Predicted by Computer Simulation ⬇️

scientific article published on December 29, 2011

Impact of sequence on the molecular assembly of short amyloid peptides

scientific article

In Silico Discovery and Validation of Neuropeptide-Y-Binding Peptides for Sensors

scientific article published on 26 December 2019

Influence of temperature on formation of perfect tau fragment fibrils using PRIME20/DMD simulations ⬇️

scientific article published on September 17, 2012

Membrane morphologies induced by mixtures of arc-shaped particles with opposite curvature

scientific article published on 09 April 2020

Modeling nanoparticle wrapping or translocation in bilayer membranes

scientific article

Molecular Dynamics Simulations of DPPC Bilayers Using “LIME”, a New Coarse-Grained Model ⬇️

scientific article published on April 16, 2013

Molecular description of the LCST behavior of an elastin-like polypeptide

scientific article published on 2 September 2014

Molecular insights into the surface-catalyzed secondary nucleation of amyloid-β40 (Aβ40) by the peptide fragment Aβ16–22.

scientific article

N-terminal Prion Protein Peptides (PrP(120-144)) Form Parallel In-register β-Sheets via Multiple Nucleation-dependent Pathways

scientific article published on 30 August 2016

Navigating in foldonia: Using accelerated molecular dynamics to explore stability, unfolding and self-healing of the β-solenoid structure formed by a silk-like polypeptide

scientific article

Phase separation behavior of mixed lipid systems at neutral and low pH: coarse-grained simulations with DMD/LIME.

scientific article

Physical organogels composed of amphiphilic block copolymers and 1,3:2,4-dibenzylidene-D-sorbitol ⬇️

scientific article published on November 15, 2003

Predicting the Fluid-Phase Behavior of Aqueous Solutions of ELP (VPGVG) Sequences Using SAFT-VR.

scientific article published on 8 August 2017

Preface to the Tribute to Keith E. Gubbins, Pioneer in the Theory of Liquids Special Issue

scientific article published in October 2017

Protein adsorption on nanoparticles: model development using computer simulation

scientific article published on 22 August 2016

Selectivity of Glycine for Facets on Gold Nanoparticles

scientific article

Simulation Study of Hydrophobically Modified Chitosan as an Oil Dispersant Additive

scientific article published on 14 May 2015

Simulation of Micelle Formation in the Presence of Solutes ⬇️

scientific article published on October 5, 2010

Simulation study of the ability of a computationally-designed peptide to recognize target tRNALys3 and other decoy tRNAs

scientific article published on 28 September 2016

Simulation study on the structural properties of colloidal particles with offset dipoles

scientific article published on 11 April 2017

Simulations and Experiments Delineate Amyloid Fibrilization by Peptides Derived from Glaucoma-Associated Myocilin.

scientific article

Spontaneous Formation of Twisted Aβ16-22 Fibrils in Large-Scale Molecular-Dynamics Simulations ⬇️

scientific article published on November 15, 2011

Structural Conversion of Aβ17-42 Peptides from Disordered Oligomers to U-Shape Protofilaments via Multiple Kinetic Pathways

scientific article (publication date: May 2015)

Tailoring the Chemical Modification of Chitosan Hydrogels to Fine-Tune the Release of a Synergistic Combination of Chemotherapeutics

scientific article published on 30 July 2019

The design of a peptide sequence to inhibit HIV replication: a search algorithm combining Monte Carlo and self-consistent mean field techniques

scientific article published on 23 October 2013

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