Jie-hua P. Shi

Hangzhou, China

Last Updated: 09/26/2026

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Found 62 publications

Spectroscopic and computer science insights from the binding of palbociclib with bovine serum albumin.

Spectroscopic and computer science insights from the binding of palbociclib with bovine serum albumin.

Journal: Journal of biomolecular structure & dynamics

Published: June 27, 2025

Elucidating the Binding Mechanism of Oclacitinib With Bovine Serum Albumin: A Multidisciplinary Approach Combining Spectroscopy, Thermodynamics, and Molecular Docking.

Elucidating the Binding Mechanism of Oclacitinib With Bovine Serum Albumin: A Multidisciplinary Approach Combining Spectroscopy, Thermodynamics, and Molecular Docking.

Journal: Luminescence : the journal of biological and chemical luminescence

Published: April 01, 2025

Exploring the binding characteristics between lorlatinib and human alpha-1-acid glycoprotein: Multispectral and molecular modeling techniques.

Exploring the binding characteristics between lorlatinib and human alpha-1-acid glycoprotein: Multispectral and molecular modeling techniques.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy

Published: June 12, 2024

Multispectral and molecular simulation of the interaction of human α1-acid glycoprotein with palbociclib.

Multispectral and molecular simulation of the interaction of human α1-acid glycoprotein with palbociclib.

Journal: Biochimica et biophysica acta. General subjects

Published: April 23, 2024

Exploring the binding characteristics of bovine serum albumin with CDK4/6 inhibitors Ribociclib: Multi-spectral analysis and molecular simulation studies.

Exploring the binding characteristics of bovine serum albumin with CDK4/6 inhibitors Ribociclib: Multi-spectral analysis and molecular simulation studies.

Journal: Journal of photochemistry and photobiology. B, Biology

Published: April 18, 2024

Comprehending the inhibition mechanism of indole-based bis-acylhydrazone compounds on α-glucosidase: Spectral and theoretical approaches.

Comprehending the inhibition mechanism of indole-based bis-acylhydrazone compounds on α-glucosidase: Spectral and theoretical approaches.

Journal: International journal of biological macromolecules

Published: February 28, 2024

In vitro investigation of the binding characteristics of dacomitinib to human α 1-acid glycoprotein: Multispectral and computational modeling.

In vitro investigation of the binding characteristics of dacomitinib to human α 1-acid glycoprotein: Multispectral and computational modeling.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy

Published: December 29, 2023

Exploring the binding behaviors between nisoldipine and bovine serum albumin as a model protein by the aid of multi-spectroscopic approaches and in silico.

Exploring the binding behaviors between nisoldipine and bovine serum albumin as a model protein by the aid of multi-spectroscopic approaches and in silico.

Journal: Journal of biomolecular structure & dynamics

Published: July 05, 2023

Comprehending the intermolecular interaction of dacomitinib with bovine serum albumin: experimental and theoretical approaches.

Comprehending the intermolecular interaction of dacomitinib with bovine serum albumin: experimental and theoretical approaches.

Journal: Journal of biomolecular structure & dynamics

Published: June 08, 2023

Insight into intermolecular binding mechanism of apatinib mesylate and human alpha-1-acid glycoprotein: combined multi-spectroscopic approaches with in silico.

Insight into intermolecular binding mechanism of apatinib mesylate and human alpha-1-acid glycoprotein: combined multi-spectroscopic approaches with in silico.

Journal: Journal of biomolecular structure & dynamics

Published: March 31, 2023

Comprehending the intermolecular interaction of JAK inhibitor fedratinib with bovine serum albumin (BSA)/human alpha-1-acid glycoprotein (HAG): Multispectral methodologies and molecular simulation.

Comprehending the intermolecular interaction of JAK inhibitor fedratinib with bovine serum albumin (BSA)/human alpha-1-acid glycoprotein (HAG): Multispectral methodologies and molecular simulation.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy

Published: March 09, 2023

Investigation on the binding behavior of human α1-acid glycoprotein with Janus Kinase inhibitor baricitinib: Multi-spectroscopic and molecular simulation methodologies.

Investigation on the binding behavior of human α1-acid glycoprotein with Janus Kinase inhibitor baricitinib: Multi-spectroscopic and molecular simulation methodologies.

Journal: International journal of biological macromolecules

Published: February 04, 2023

Showing 1-12 of 62

Last Updated: 09/26/2026