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Journal of Chemical Theory and Computation
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February 4, 2026
A Hardware-Feasible Quantum Machine Learning Framework for Structure-Based Virtual Screening
Pei-Kun Yang
Biopolymers
|
January 25, 2014
Effect of external electrostatic field on the stability of β sheet structures
Pei-Kun Yang
Journal of Computer-Aided Molecular Design
|
April 24, 2026
Quantifying conformational diversity in protein-ligand ensembles for structure-based virtual screening
Pei Kun Yang
Journal of Molecular Modeling
|
June 27, 2015
Incorporating excluded solvent volume and physical dipoles for computing solvation free energy
Pei-Kun Yang
Biophysical Chemistry
|
October 26, 2013
Strategy using three layers of surface charge for computing solvation free energy of ions
Pei-Kun Yang
Journal of Computational Chemistry
|
October 17, 2013
Incorporating the excluded solvent volume and surface charges for computing solvation free energy
Pei-Kun Yang
Journal of Chemical Information and Modeling
|
May 28, 2026
Scalable Ligand Pose Generation via QUBO-Guided Grid Sampling and Geometric Triplet Matching
Pei-Kun Yang
Journal of Computational Chemistry
|
July 1, 2011
Discrepancy in the near-solute electric dipole moment calculated from the electric field
Pei-Kun Yang
Biophysical Chemistry
|
December 13, 2016
Modified Poisson equations for calculating solvation free energy
Pei-Kun Yang
International Journal of Molecular Sciences
|
July 16, 2013
Dependence of interaction free energy between solutes on an external electrostatic field
Pei-Kun Yang
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of 2
Search research articles
Search
Showing results (1-10 of 16) with videos related to
Sort By:
Page
of 2
Journal of Chemical Theory and Computation
|
February 4, 2026
A Hardware-Feasible Quantum Machine Learning Framework for Structure-Based Virtual Screening
Pei-Kun Yang
Biopolymers
|
January 25, 2014
Effect of external electrostatic field on the stability of β sheet structures
Pei-Kun Yang
Journal of Computer-Aided Molecular Design
|
April 24, 2026
Quantifying conformational diversity in protein-ligand ensembles for structure-based virtual screening
Pei Kun Yang
Journal of Molecular Modeling
|
June 27, 2015
Incorporating excluded solvent volume and physical dipoles for computing solvation free energy
Pei-Kun Yang
Biophysical Chemistry
|
October 26, 2013
Strategy using three layers of surface charge for computing solvation free energy of ions
Pei-Kun Yang
Journal of Computational Chemistry
|
October 17, 2013
Incorporating the excluded solvent volume and surface charges for computing solvation free energy
Pei-Kun Yang
Journal of Chemical Information and Modeling
|
May 28, 2026
Scalable Ligand Pose Generation via QUBO-Guided Grid Sampling and Geometric Triplet Matching
Pei-Kun Yang
Journal of Computational Chemistry
|
July 1, 2011
Discrepancy in the near-solute electric dipole moment calculated from the electric field
Pei-Kun Yang
Biophysical Chemistry
|
December 13, 2016
Modified Poisson equations for calculating solvation free energy
Pei-Kun Yang
International Journal of Molecular Sciences
|
July 16, 2013
Dependence of interaction free energy between solutes on an external electrostatic field
Pei-Kun Yang
Page
of 2