Enhanced sampling techniques in molecular dynamics simulations of biological systems

RC Bernardi, MCR Melo, K Schulten - Biochimica et Biophysica Acta (BBA) …, 2015 - Elsevier
Background Molecular dynamics has emerged as an important research methodology
covering systems to the level of millions of atoms. However, insufficient sampling often limits …

New Monte Carlo algorithms for protein folding

UHE Hansmann, Y Okamoto - Current opinion in structural biology, 1999 - Elsevier
Over the past three decades, a number of powerful simulation algorithms have been
introduced to the protein folding problem. For many years, the emphasis has been placed on …

[图书][B] Nature-inspired optimization algorithms

XS Yang - 2020 - books.google.com
Nature-Inspired Optimization Algorithms, Second Edition provides an introduction to all
major nature-inspired algorithms for optimization. The book's unified approach, balancing …

Sampling-based path planning on configuration-space costmaps

L Jaillet, J Cortés, T Siméon - IEEE Transactions on Robotics, 2010 - ieeexplore.ieee.org
This paper addresses path planning to consider a cost function defined over the
configuration space. The proposed planner computes low-cost paths that follow valleys and …

Highly nonrigid object tracking via patch-based dynamic appearance modeling

J Kwon, KM Lee - IEEE transactions on pattern analysis and …, 2013 - ieeexplore.ieee.org
A novel tracking algorithm is proposed for targets with drastically changing geometric
appearances over time. To track such objects, we develop a local patch-based appearance …

Intelligent agents: Multi-agent systems

A Garro, M Mühlhäuser, A Tundis… - … of Bioinformatics and …, 2018 - books.google.com
The agent is a metaphor that was natively originated in Artifical Intelligence (AI)(see works
from Newell, and others). Its characteristics changed when the emphasis was put on multi …

Adaptation in stochastic tunneling global optimization of complex potential energy landscapes

K Hamacher - Europhysics Letters, 2006 - iopscience.iop.org
Global optimization remains one of the great challenges in scientific computing. One
particular successful approach is the usage of tunneling functions to cross barriers and …

Modelling proteins: Conformational sampling and reconstruction of folding kinetics

K Klenin, B Strodel, DJ Wales, W Wenzel - Biochimica et Biophysica Acta …, 2011 - Elsevier
In the last decades biomolecular simulation has made tremendous inroads to help elucidate
biomolecular processes in-silico. Despite enormous advances in molecular dynamics …

Diagnosis by simplicity: an aptachip for dopamine capture and accurate detection with a dual colorimetric and fluorometric system

TY Lin, KC Wei, SP Ju, CY Huang… - Journal of Materials …, 2018 - pubs.rsc.org
In this study, we aim to rapidly fabricate an aptachip with a dual colorimetric and fluorometric
sensing strategy for easy dopamine (DA) detection with high sensitivity and selectivity. To …

Analysis of X-ray spectral data with genetic algorithms

IE Golovkin, RC Mancini, SJ Louis, RW Lee… - Journal of Quantitative …, 2002 - Elsevier
An algorithmic method for the analysis of X-ray line spectra using genetic algorithms is
presented. This technique permits the extraction of diagnostic information on the emitting …