Jana Shen, Ph.D
Affiliations: | 2007-2012 | Department of Chemistry and Biochemistry | University of Oklahoma, Norman, OK, United States |
| 2012- | Pharmaceutical Sciences | University of Maryland School of Pharmacy |
Area:
Computational Chemistry and Biophysics, Drug and Material DesignWebsite:
https://www.computchem.org/Google:
"Jana Shen"Bio:
https://www.computchem.org/jana
https://scholar.google.com/citations?user=nKg_v6cAAAAJ&hl=en
Mean distance: (not calculated yet)
Parents
Sign in to add mentor| Darrin M. York | grad student | 1999-2003 | UMN |
| Charles L. Brooks | post-doc | 2003-2007 | Scripps Research Institute |
Children
Sign in to add trainee| Zhi Yue | grad student | 2012-2017 | University of Maryland School of Pharmacy |
BETA: Related publications
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Publications
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| Peeples CA, Liu R, Shen J. (2024) Force Field Limitations of All-Atom Continuous Constant pH Molecular Dynamics. The Journal of Physical Chemistry. B. 128: 11616-11624 |
| Hwang W, Austin SL, Blondel A, et al. (2024) CHARMM at 45: Enhancements in Accessibility, Functionality, and Speed. The Journal of Physical Chemistry. B |
| Peeples CA, Liu R, Shen J. (2024) Force Field Limitations of All-Atom Continuous Constant pH Molecular Dynamics. Biorxiv : the Preprint Server For Biology |
| Shen M, Huang Y, Cai Z, et al. (2024) Interior pH-sensing residue of human voltage-gated proton channel H1 is histidine 168. Biophysical Journal |
| Thiel AC, Speranza MJ, Jadhav S, et al. (2024) Constant-pH Simulations with the Polarizable Atomic Multipole AMOEBA Force Field. Journal of Chemical Theory and Computation |
| Henderson JA, Liu R, Harris JA, et al. (2022) A Guide to the Continuous Constant pH Molecular Dynamics Methods in Amber and CHARMM [Article v1.0]. Living Journal of Computational Molecular Science. 4 |
| Martins de Oliveira V, Liu R, Shen J. (2022) Constant pH molecular dynamics simulations: Current status and recent applications. Current Opinion in Structural Biology. 77: 102498 |
| Harris JA, Liu R, Martins de Oliveira V, et al. (2022) GPU-Accelerated All-Atom Particle-Mesh Ewald Continuous Constant pH Molecular Dynamics in Amber. Journal of Chemical Theory and Computation |
| Liu R, Verma N, Henderson JA, et al. (2021) Profiling MAP kinase cysteines for targeted covalent inhibitor design. Rsc Medicinal Chemistry. 13: 54-63 |
| Henderson JA, Shen J. (2021) Exploring the pH- and Ligand-Dependent Flap Dynamics of Malarial Plasmepsin II. Journal of Chemical Information and Modeling |