Product
Help
Pricing
About
Jobs
Log in
Get started
Author
Add to collection
Pei‐Kun Yang
Observed names:
P. K. Yang,
P.K. Yang,
Pei-Kun Yang,
Yang, Pei-Kun
Institution:
I-Shou University
Observed institutions:
National Taiwan University,
National Tsing Hua University,
Institute of Biomedical Sciences, Academia Sinica,
National Yang Ming University,
Academia Sinica,
I-Shou University
show all 6
ORCID:
0000-0003-1840-6204
Observed ORCID:
0000-0003-1840-6204
OpenAlex ID:
A5066959530
Representing an Infinite Solvent System with a Rectangular Finite System Using Image Charges
2002
·
Pei-Kun Yang
, Shwu-Huey Liaw
, et al.
·
The Journal of Physical Chemistry B
·
27
On the Charge and Molecule Based Summations of Solvent Electrostatic Potentials and the Validity of Electrostatic Linear Response in Water
2002
·
C. Satheesan Babu
, Pei-Kun Yang
, et al.
·
Journal of Biological Physics
·
19
PDF
The Importance of Excluded Solvent Volume Effects in Computing Hydration Free Energies
2008
·
Pei-Kun Yang
, Carmay Lim
·
The Journal of Physical Chemistry B
·
16
Reformulation of Maxwell’s Equations to Incorporate Near-Solute Solvent Structure
2008
·
Pei-Kun Yang
, Carmay Lim
·
The Journal of Physical Chemistry B
·
14
Nonconvergence of the Solute Potential in an Infinite Solvent and Its Implications in Continuum Models
2002
·
Pei-Kun Yang
, Carmay Lim
·
The Journal of Physical Chemistry B
·
13
Shaker pore structure as predicted by annealed atomic simulation using symmetry and novel geometric restraints
1997
·
P.K. Yang
, C.Y. Lee
, et al.
·
Biophysical Journal
·
13
PDF
Strategies to model the near‐solute solvent molecular density/polarization
2008
·
Pei‐Kun Yang
, Carmay Lim
·
Journal of Computational Chemistry
·
12
Factors altering the affinity of protein–ligand binding in an external electrostatic field
2015
·
Shyh-Ming Kuo
, Pei-Kun Yang
·
Bioelectrochemistry
·
11
Effect of external electrostatic field on the stability of β sheet structures
2014
·
Pei‐Kun Yang
·
Biopolymers
·
10
Discrepancy in the near‐solute electric dipole moment calculated from the electric field
2011
·
Pei‐Kun Yang
·
Journal of Computational Chemistry
·
10
Incorporation of the TIP4P water model into a continuum solvent for computing solvation free energy
2014
·
Pei-Kun Yang
·
Chemical Physics
·
8
Incorporating the excluded solvent volume and surface charges for computing solvation free energy
2013
·
Pei‐Kun Yang
·
Journal of Computational Chemistry
·
8
Dependence of Interaction Free Energy between Solutes on an External Electrostatic Field
2013
·
Pei-Kun Yang
·
International Journal of Molecular Sciences
·
8
PDF
Derivation of Equations Describing Distance Solute Oscillation of Induced Solvent Polarization
2010
·
Pei-Kun Yang
·
Bulletin of the Chemical Society of Japan
·
8
Restraint-driven formation of ?-helical coiled coils in molecular dynamics simulations
1999
·
Pei-Kun Yang
, Wen-Shyong Tzou
, et al.
·
Biopolymers
·
8
Strategy using three layers of surface charge for computing solvation free energy of ions
2013
·
Pei-Kun Yang
·
Biophysical Chemistry
·
7
Estimates of relative binding free energies for HIV protease inhibitors using different levels of approximations
1998
·
C. Y. Lee
, P. K. Yang
, et al.
·
Protein Engineering Design and Selection
·
5
A Hardware-Feasible Quantum Machine Learning Framework for Structure-Based Virtual Screening
2026
·
Pei-Kun Yang
·
Journal of Chemical Theory and Computation
·
4
Modifying Poisson equation for near-solute dielectric polarization and solvation free energy
2016
·
Pei-Kun Yang
·
Chemical Physics
·
4
Modified Poisson equation for the electric field and electric field gradient
2016
·
Pei-Kun Yang
·
Journal of Molecular Liquids
·
3
Quantum Inner Product Scoring with Grid-Based Maps for Structure-Based Virtual Screening
2026
·
Pei-Kun Yang
·
Journal of Chemical Theory and Computation
·
2
Modified Poisson equations for calculating solvation free energy
2016
·
Pei-Kun Yang
·
Biophysical Chemistry
·
2
Incorporating excluded solvent volume and physical dipoles for computing solvation free energy
2015
·
Pei-Kun Yang
·
Journal of Molecular Modeling
·
2
Quantum Convolutional Neural Network with Nonlinear Effects and Barren Plateau Mitigation
2025
·
Yang, Pei-Kun
·
arXiv (Cornell University)
·
1
PDF
Quantum Machine Learning for Predicting Binding Free Energies in Structure-Based Virtual Screening
2025
·
Yang, Pei-Kun
·
arXiv (Cornell University)
·
1
PDF
Show more works
View as search
Works count:
32
Citation count:
218
H-index:
10
I10-index:
10
Year
Topic
Type
