Pengyu Y. Ren
Orcid: 0000-0002-5613-1910Affiliations:
- University of Texas at Austin, Department of Biomedical Engineering, USA
According to our database1,
Pengyu Y. Ren
authored at least 17 papers
between 2002 and 2023.
Collaborative distances:
Collaborative distances:
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on orcid.org
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Bibliography
2023
Computational Investigation of a Series of Small Molecules as Potential Compounds for Lysyl Hydroxylase-2 (LH2) Inhibition.
J. Chem. Inf. Model., February, 2023
2022
J. Chem. Inf. Model., 2022
J. Comput. Chem., 2022
Hydration of divalent lanthanides, Sm2+ and Eu2+: A molecular dynamics study with polarizable AMOEBA force field.
J. Comput. Chem., 2022
2021
J. Chem. Inf. Model., 2021
Advanced Electrostatic Model for Monovalent Ions Based on Ab Initio Energy Decomposition.
J. Chem. Inf. Model., 2021
2020
Three-site and five-site fixed-charge water models compatible with AMOEBA force field.
J. Comput. Chem., 2020
Tinker-HP : Accelerating Molecular Dynamics Simulations of Large Complex Systems with Advanced Point Dipole Polarizable Force Fields using GPUs and Multi-GPUs systems.
CoRR, 2020
2019
Raising the Performance of the Tinker-HP Molecular Modeling Package on Intel's HPC Architectures: a Living Review [Article v1.0].
CoRR, 2019
2017
J. Comput. Chem., 2017
J. Comput. Chem., 2017
2016
Calculating protein-ligand binding affinities with MMPBSA: Method and error analysis.
J. Comput. Chem., 2016
Scalable improvement of SPME multipolar electrostatics in anisotropic polarizable molecular mechanics using a general short-range penetration correction up to quadrupoles.
J. Comput. Chem., 2016
2014
2011
J. Comput. Chem., 2011
2009
Trypsin-ligand binding free energies from explicit and implicit solvent simulations with polarizable potential.
J. Comput. Chem., 2009
2002
Consistent treatment of inter- and intramolecular polarization in molecular mechanics calculations.
J. Comput. Chem., 2002