Rui-rui Wang

Tianjin Key Laboratory On Technologies Enabling Development Of Clinical Therapeutics And Diagnostics
Tianjin, 300070, China

Last Updated: 09/26/2026

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Found 8 publications

Screening potential FDA-approved inhibitors of the SARS-CoV-2 major protease 3CLpro through high-throughput virtual screening and molecular dynamics simulation.

Screening potential FDA-approved inhibitors of the SARS-CoV-2 major protease 3CLpro through high-throughput virtual screening and molecular dynamics simulation.

Journal: Aging

Published: November 25, 2020

Design, synthesis and biological evaluation of pyridine derivatives as selective SHP2 inhibitors.

Design, synthesis and biological evaluation of pyridine derivatives as selective SHP2 inhibitors.

Journal: Bioorganic chemistry

Published: November 28, 2019

Design, synthesis, biological evaluation and molecular dynamics studies of 4-thiazolinone derivatives as protein tyrosine phosphatase 1B (PTP1B) inhibitors.

Design, synthesis, biological evaluation and molecular dynamics studies of 4-thiazolinone derivatives as protein tyrosine phosphatase 1B (PTP1B) inhibitors.

Journal: Journal of biomolecular structure & dynamics

Published: September 07, 2019

Investigating the reason for loss-of-function of Src homology 2 domain-containing protein tyrosine phosphatase 2 (SHP2) caused by Y279C mutation through molecular dynamics simulation.

Investigating the reason for loss-of-function of Src homology 2 domain-containing protein tyrosine phosphatase 2 (SHP2) caused by Y279C mutation through molecular dynamics simulation.

Journal: Journal of biomolecular structure & dynamics

Published: July 02, 2019

Probing the acting mode and advantages of RMC-4550 as an Src-homology 2 domain-containing protein tyrosine phosphatase (SHP2) inhibitor at molecular level through molecular docking and molecular dynamics.

Probing the acting mode and advantages of RMC-4550 as an Src-homology 2 domain-containing protein tyrosine phosphatase (SHP2) inhibitor at molecular level through molecular docking and molecular dynamics.

Journal: Journal of biomolecular structure & dynamics

Published: May 03, 2019

Exploring the effect of inhibitor AKB-9778 on VE-PTP by molecular docking and molecular dynamics simulation.

Exploring the effect of inhibitor AKB-9778 on VE-PTP by molecular docking and molecular dynamics simulation.

Journal: Journal of cellular biochemistry

Published: December 20, 2018

Exploring the effect of N308D mutation on protein tyrosine phosphatase-2 cause gain-of-function activity by a molecular dynamics study.

Exploring the effect of N308D mutation on protein tyrosine phosphatase-2 cause gain-of-function activity by a molecular dynamics study.

Journal: Journal of cellular biochemistry

Published: July 02, 2018

Exploring the reason for increased activity of SHP2 caused by D61Y mutation through molecular dynamics.

Exploring the reason for increased activity of SHP2 caused by D61Y mutation through molecular dynamics.

Journal: Computational biology and chemistry

Published: May 18, 2018

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Last Updated: 09/26/2026