Nengzhi Jin

No. 42 Qingyang Road, Chengguan District
Lanzhou, 730000, China

Last Updated: 09/26/2026

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Found 15 publications

Ricci-GraphDTA: A graph neural network integrating discrete Ricci curvature for drug-target affinity prediction.

Ricci-GraphDTA: A graph neural network integrating discrete Ricci curvature for drug-target affinity prediction.

Journal: Journal of molecular graphics & modelling

Published: May 23, 2025

Mechanism and origin of enantioselectivity for organocatalyzed asymmetric heteroannulation of alkynes in the construction of axially chiral C2-arylquinoline.

Mechanism and origin of enantioselectivity for organocatalyzed asymmetric heteroannulation of alkynes in the construction of axially chiral C2-arylquinoline.

Journal: Organic & biomolecular chemistry

Published: August 27, 2024

Comparative Simulative Analysis and Design of Single-Chain Self-Assembled Protein Cages.

Comparative Simulative Analysis and Design of Single-Chain Self-Assembled Protein Cages.

Journal: The journal of physical chemistry. B

Published: June 21, 2024

Comparative antibacterial analysis of the anthraquinone compounds based on the AIM theory, molecular docking, and dynamics simulation analysis.

Comparative antibacterial analysis of the anthraquinone compounds based on the AIM theory, molecular docking, and dynamics simulation analysis.

Journal: Journal of molecular modeling

Published: July 07, 2022

Adsorption Behaviors of Typical Proteins on BP, GR, and C2N Surfaces.

Adsorption Behaviors of Typical Proteins on BP, GR, and C2N Surfaces.

Journal: Journal of chemical information and modeling

Published: March 05, 2021

Study on novel PtNP-sorafenib and its interaction with VEGFR2.

Study on novel PtNP-sorafenib and its interaction with VEGFR2.

Journal: Journal of biochemistry

Published: February 24, 2021

Is Crocin a Potential Anti-tumor Candidate Targeting Microtubules? Computational Insights From Molecular Docking and Dynamics Simulations.

Is Crocin a Potential Anti-tumor Candidate Targeting Microtubules? Computational Insights From Molecular Docking and Dynamics Simulations.

Journal: Frontiers in molecular biosciences

Published: July 24, 2020

Effects of Hydroxyl Group on the Interaction of Carboxylated Flavonoid Derivatives with S. Cerevisiae α-Glucosidase.

Effects of Hydroxyl Group on the Interaction of Carboxylated Flavonoid Derivatives with S. Cerevisiae α-Glucosidase.

Journal: Current computer-aided drug design

Published: May 26, 2018

In Silico Identification of Protein S-Palmitoylation Sites and Their Involvement in Human Inherited Disease.

In Silico Identification of Protein S-Palmitoylation Sites and Their Involvement in Human Inherited Disease.

Journal: Journal of chemical information and modeling

Published: August 15, 2015

Understanding the drug resistance mechanism of hepatitis C virus NS5B to PF-00868554 due to mutations of the 423 site: a computational study.

Understanding the drug resistance mechanism of hepatitis C virus NS5B to PF-00868554 due to mutations of the 423 site: a computational study.

Journal: Molecular bioSystems

Published: January 24, 2014

The role of Cys179-Cys214 disulfide bond in the stability and folding of prion protein: insights from molecular dynamics simulations.

The role of Cys179-Cys214 disulfide bond in the stability and folding of prion protein: insights from molecular dynamics simulations.

Journal: Journal of molecular modeling

Published: September 28, 2013

Structural diversity and initial oligomerization of PrP106-126 studied by replica-exchange and conventional molecular dynamics simulations.

Structural diversity and initial oligomerization of PrP106-126 studied by replica-exchange and conventional molecular dynamics simulations.

Journal: PloS one

Published: July 18, 2013

Showing 1-12 of 15

Last Updated: 09/26/2026