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Pei-Kun Yang

Showing results (1-10 of 16) with videos related to

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

Showing results (1-10 of 16) with videos related to

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