Yalong Cong

Shanghai, 200062, China

Last Updated: 09/26/2026

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Found 27 publications

Clock-Turning Control of P450 TxtE Regioselectivity Enables Precise Site Functionalization of Aromatic Compounds.

Clock-Turning Control of P450 TxtE Regioselectivity Enables Precise Site Functionalization of Aromatic Compounds.

Journal: JACS Au

Published: October 18, 2025

"Blade of Polarized Water Molecule" Is the Key to Hydrolase Catalysis Regulation.

"Blade of Polarized Water Molecule" Is the Key to Hydrolase Catalysis Regulation.

Journal: Journal of chemical information and modeling

Published: October 09, 2024

Combined Antibodies Evusheld against the SARS-CoV-2 Omicron Variants BA.1.1 and BA.5: Immune Escape Mechanism from Molecular Simulation.

Combined Antibodies Evusheld against the SARS-CoV-2 Omicron Variants BA.1.1 and BA.5: Immune Escape Mechanism from Molecular Simulation.

Journal: Journal of chemical information and modeling

Published: August 16, 2023

A precise swaying map for how promiscuous cellobiose-2-epimerase operate bi-reaction.

A precise swaying map for how promiscuous cellobiose-2-epimerase operate bi-reaction.

Journal: International journal of biological macromolecules

Published: August 09, 2023

Binding of berberine derivates to G-quadruplex: insight from a computational study.

Binding of berberine derivates to G-quadruplex: insight from a computational study.

Journal: Physical chemistry chemical physics : PCCP

Published: April 03, 2023

Comprehensive Evaluation of End-Point Free Energy Techniques in Carboxylated-Pillar[6]arene Host-Guest Binding: III. Force-Field Comparison, Three-Trajectory Realization and Further Dielectric Augmentation.

Comprehensive Evaluation of End-Point Free Energy Techniques in Carboxylated-Pillar[6]arene Host-Guest Binding: III. Force-Field Comparison, Three-Trajectory Realization and Further Dielectric Augmentation.

Journal: Molecules (Basel, Switzerland)

Published: February 26, 2023

Molecular Modelling of Ionic Liquids: Situations When Charge Scaling Seems Insufficient.

Molecular Modelling of Ionic Liquids: Situations When Charge Scaling Seems Insufficient.

Journal: Molecules (Basel, Switzerland)

Published: December 30, 2022

Rational Design of a Highly Specific Prolyl Endopeptidase To Activate the Antihypertensive Effect of Peptides.

Rational Design of a Highly Specific Prolyl Endopeptidase To Activate the Antihypertensive Effect of Peptides.

Journal: Chembiochem : a European journal of chemical biology

Published: November 22, 2022

Comprehensive evaluation of end-point free energy techniques in carboxylated-pillar[6]arene host-guest binding: II. regression and dielectric constant.

Comprehensive evaluation of end-point free energy techniques in carboxylated-pillar[6]arene host-guest binding: II. regression and dielectric constant.

Journal: Journal of computer-aided molecular design

Published: August 26, 2022

Immune Escape Mechanisms of SARS-CoV-2 Delta and Omicron Variants against Two Monoclonal Antibodies That Received Emergency Use Authorization.

Immune Escape Mechanisms of SARS-CoV-2 Delta and Omicron Variants against Two Monoclonal Antibodies That Received Emergency Use Authorization.

Journal: The journal of physical chemistry letters

Published: June 27, 2022

A fast-slow method to treat solute dynamics in explicit solvent.

A fast-slow method to treat solute dynamics in explicit solvent.

Journal: Physical chemistry chemical physics : PCCP

Published: June 06, 2022

Computational Insights into the Binding Mechanism of OxyS sRNA with Chaperone Protein Hfq.

Computational Insights into the Binding Mechanism of OxyS sRNA with Chaperone Protein Hfq.

Journal: Biomolecules

Published: September 19, 2021

Showing 1-12 of 27

Last Updated: 09/26/2026