Calculating potentials of mean force from steered molecular dynamics simulations
S Park, K Schulten - The Journal of chemical physics, 2004 - pubs.aip.org
Steered molecular dynamics (SMD) permits efficient investigations of molecular processes
by focusing on selected degrees of freedom. We explain how one can, in the framework of …
by focusing on selected degrees of freedom. We explain how one can, in the framework of …
Free energy calculation from steered molecular dynamics simulations using Jarzynski's equality
S Park, F Khalili-Araghi, E Tajkhorshid… - The Journal of chemical …, 2003 - pubs.aip.org
Calculation of free energy is of great importance for understanding the kinetics and the
structural determinants of biomolecular processes, such as transition between different …
structural determinants of biomolecular processes, such as transition between different …
Synthetic ratiometric fluorescent probes for detection of ions
SH Park, N Kwon, JH Lee, J Yoon, I Shin - Chemical Society Reviews, 2020 - pubs.rsc.org
Metal cations and anions are essential for versatile physiological processes. Dysregulation
of specific ion levels in living organisms is known to have an adverse effect on normal …
of specific ion levels in living organisms is known to have an adverse effect on normal …
An index-based approach for similarity search supporting time warping in large sequence databases
This paper proposes a new novel method for similarity search that supports time warping in
large sequence databases. Time warping enables finding sequences with similar patterns …
large sequence databases. Time warping enables finding sequences with similar patterns …
Energetics of glycerol conduction through aquaglyceroporin GlpF
MŲ Jensen, S Park, E Tajkhorshid… - Proceedings of the …, 2002 - National Acad Sciences
Aquaglyceroporin GlpF selectively conducts water and linear polyalcohols, such as glycerol,
across the inner membrane of Escherichia coli. We report steered molecular dynamics …
across the inner membrane of Escherichia coli. We report steered molecular dynamics …
ViST: a dynamic index method for querying XML data by tree structures
With the growing importance of XML in data exchange, much research has been done in
providing flexible query facilities to extract data from structured XML documents. In this paper, …
providing flexible query facilities to extract data from structured XML documents. In this paper, …
A framework for evaluating the usability of mobile phones based on multi-level, hierarchical model of usability factors
J Heo, DH Ham, S Park, C Song… - Interacting with …, 2009 - ieeexplore.ieee.org
As a mobile phone has various advanced functionalities or features, usability issues are
increasingly challenging. Due to the particular characteristics of a mobile phone, typical usability …
increasingly challenging. Due to the particular characteristics of a mobile phone, typical usability …
Micro light‐emitting diodes for display and flexible biomedical applications
Inorganic‐based micro light‐emitting diodes (µLEDs) have witnessed significant improvements
in terms of display and biomedical applications, which can shift the paradigm of future …
in terms of display and biomedical applications, which can shift the paradigm of future …
[PDF][PDF] Force field bias in protein folding simulations
Long timescale (>1 μs) molecular dynamics simulations of protein folding offer a powerful tool
for understanding the atomic-scale interactions that determine a protein's folding pathway …
for understanding the atomic-scale interactions that determine a protein's folding pathway …
Smart data processing for energy harvesting systems using artificial intelligence
Recent substantial advancements in computational techniques, particularly in artificial
intelligence (AI) and machine learning (ML), have raised the demand for smart self-powered …
intelligence (AI) and machine learning (ML), have raised the demand for smart self-powered …