Enhanced sampling methods for molecular dynamics simulations
Enhanced sampling algorithms have emerged as powerful methods to extend the utility of
molecular dynamics simulations and allow the sampling of larger portions of the …
molecular dynamics simulations and allow the sampling of larger portions of the …
Peptide framework for screening the effects of amino acids on assembly
Discovery of peptide domains with unique intermolecular interactions is essential for
engineering peptide-based materials. Rather than attempting a brute-force approach, we …
engineering peptide-based materials. Rather than attempting a brute-force approach, we …
Amyloids on membrane interfaces: implications for neurodegeneration
AK Mahakud, J Shaikh, VV Rifa Iqbal, A Gupta… - The Journal of …, 2022 - Springer
Membrane interfaces are vital for various cellular processes, and their involvement in
neurodegenerative disorders such as Alzheimer's and Parkinson's disease has taken …
neurodegenerative disorders such as Alzheimer's and Parkinson's disease has taken …
[图书][B] Understanding Structure and Dynamics of Peptides Using Simulations and Experiments
DB Amirkulova - 2020 - search.proquest.com
Explaining and predicting experimental results are the goals of molecular simulations.
Molecular simulations that reproduce experimental results give a molecular explanation of …
Molecular simulations that reproduce experimental results give a molecular explanation of …
[图书][B] Studying Multiscale Phenomena with Simulation and Experiments
M Chakraborty - 2020 - search.proquest.com
There are many events in nature, like self-assembly of peptides, which span a wide range of
time and space. While some multiscale phenomena have detrimental effects and play a …
time and space. While some multiscale phenomena have detrimental effects and play a …