19 citations · 35 across the 4 of their papers we have counts for
4 papers
Influence of pH and sequence in peptide aggregation via molecular simulation
Marta Enciso, Christof Schuette, Luigi Delle Site
We employ a recently developed coarse-grained model for peptides and proteins where the effect of pH is automatically included. We explore the effect of pH in the aggregation proce…
pH-dependent Response of Coiled Coils: A Coarse-Grained Molecular Simulation Study
Marta Enciso, Christof Schuette, Luigi Delle Site
In a recent work we proposed a coarse-grained methodology for studying the response of peptides when simulated at different values of pH; in this work we extend the methodology to…
pH-dependent coarse-grained model of peptides
Marta Enciso, Christof Schuette, Luigi Delle Site
We propose the first, to our knowledge, coarse-grained modeling strategy for peptides where the effect of changes of the pH can be efficiently described. The idea is based on model…
Hydrogen bond models for the simulation of protein folding and aggregation
Marta Enciso
Hydrogen bonds are a common feature in protein folding and aggregation. Due to their chemical peculiarities in terms of strength and directionality, a particular attention must be…