Jana Shen Data-verified
Affiliation confirmed via AI analysis of OpenAlex, ORCID, and web sources.
Professor
faculty
Research Areas
Links
Biography and Research Information
OverviewAI-generated summary
Jana Shen's research utilizes computational approaches, including molecular dynamics simulations, to investigate the behavior and function of biological molecules. Her work often focuses on the interactions between small molecules and their biological targets, particularly in the context of pharmacology. Shen has published on the recognition mechanisms of fentanyl at the mu-opioid receptor and the kinetics and mechanisms of fentanyl dissociation from this receptor.
Further research by Shen explores the reactivity of cysteine residues in human kinases and the development and application of simulation software. She has authored and co-authored publications related to the Amber and CHARMM biomolecular simulation packages, highlighting advancements in their accessibility, functionality, and speed. Shen's scholarship metrics include an h-index of 33, with 133 total publications and 2,891 total citations.
Metrics
- h-index: 33
- Publications: 133
- Citations: 2,920
Selected Publications
-
How Electric Field Remodels the Nanofibril Structure of Chitosan Hydrogels: The Role of Dewetting during Electro-Assembly (2025)
-
Recent Developments in Amber Biomolecular Simulations (2025)
-
Drug Resistance Predictions Based on a Directed Flag Transformer (2025)
-
Protein Electrostatic Properties are Fine-Tuned Through Evolution (2025)
-
A putative binding model of nitazene derivatives at the μ-opioid receptor (2025)
-
Mechanism of dimer selectivity and binding cooperativity of BRAF inhibitors (2025)
-
KaMLs for Predicting Protein p <i>K</i> <sub>a</sub> Values and Ionization States: Are Trees All You Need? (2025)
-
Mechanism of Dimer Selectivity and Binding Cooperativity of BRAF Inhibitors (2025)
-
Force Field Limitations of All-Atom Continuous Constant pH Molecular Dynamics (2024)
-
KaMLs for Predicting Protein p <i>K</i> <sub>a</sub> Values and Ionization States: Are Trees All You Need? (2024)
-
CHARMM at 45: Enhancements in Accessibility, Functionality, and Speed (2024)
-
Force Field Limitations of All-Atom Continuous Constant pH Molecular Dynamics (2024)
-
Interior pH-sensing residue of human voltage-gated proton channel Hv1 is histidine 168 (2024)
-
Machine Learned Classification of Ligand Intrinsic Activities at Human μ-Opioid Receptor (2024)
-
Force Field X: A computational microscope to study genetic variation and organic crystals using theory and experiment (2024)
Similar Researchers
Based on overlapping research topics