Y. Cong

发表

Insight Into the Binding Mechanism of p53/pDIQ-MDMX/MDM2 With the Interaction Entropy Method

Mengxin Li, Y. Cong, Yuchen Li, 2019, Front. Chem..

Accelerated Molecular Dynamics Simulation for Helical Proteins Folding in Explicit Water

J. H. Zhang, Y. Cong, Yuchen Li, 2019, Front. Chem..

Entropic effect and residue specific entropic contribution to the cooperativity in streptavidin-biotin binding.

J. H. Zhang, Y. Cong, Yuchen Li, 2020, Nanoscale.

Alanine scanning combined with interaction entropy studying the differences of binding mechanism on HIV-1 and HIV-2 proteases with inhibitor

J. H. Zhang, Y. Cong, Lili Duan, 2020, Journal of biomolecular structure & dynamics.

Molecular Mechanism of Selective Binding of NMS-P118 to PARP-1 and PARP-2: A Computational Perspective

Yifei Qi, J. H. Zhang, Mengxin Li, 2020, Frontiers in Molecular Biosciences.

The impact of interior dielectric constant and entropic change on HIV-1 complex binding free energy prediction

Huiyong Sun, John Z. H. Zhang, J. H. Zhang, 2018, Structural dynamics.

Exploring the Reasons for Decrease in Binding Affinity of HIV-2 Against HIV-1 Protease Complex Using Interaction Entropy Under Polarized Force Field

J. H. Zhang, Y. Cong, Yuchen Li, 2018, Front. Chem..

Drug-resistance mechanisms of three mutations in anaplastic lymphoma kinase against two inhibitors based on MM/PBSA combined with interaction entropy.

J. H. Zhang, Y. Cong, Susu Zhong, 2019, Physical chemistry chemical physics : PCCP.

Trypsin-Ligand binding affinities calculated using an effective interaction entropy method under polarized force field

Mengxin Li, Y. Cong, Yuchen Li, 2017, Scientific Reports.

An accurate free energy estimator: based on MM/PBSA combined with interaction entropy for protein-ligand binding affinity.

J. H. Zhang, Y. Cong, Susu Zhong, 2020, Nanoscale.

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

Yifei Qi, J. H. Zhang, Mengxin Li, 2021, Biomolecules.

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

Y. Cong, Song Luo, John Z. H. Zhang, 2022, The journal of physical chemistry letters.

High-level expression and improved pepsin activity by enhancing the conserved domain stability based on a scissor-like model

Y. Cong, Yue Zhao, Lujia Zhang, 2022, LWT.

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

Zhirong Liu, Y. Cong, Xiao Liu, 2022, Journal of Computer-Aided Molecular Design.

An Energy Optimization Strategy Based on the Perfect Conformation of Prolyl Endopeptidase for Improving Catalytic Efficiency.

J. H. Zhang, Y. Cong, Bei Gao, 2020, Journal of agricultural and food chemistry.

Computational analysis of binding free energies, hotspots and the binding mechanism of Bcl-xL/Bcl-2 binding to Bad/Bax.

J. H. Zhang, Y. Cong, Lili Duan, 2021, Physical chemistry chemical physics : PCCP.

Engineering the biomimetic cofactors of NMNH for cytochrome P450 BM3 based on binding conformation refinement

J. H. Zhang, Y. Cong, Qiangzi Li, 2021, RSC advances.

Molecular Modelling of Ionic Liquids: Perfluorinated Anionic Species with Enlarged Halogen Substitutions

Y. Cong, Zuo-Yuan Zhang, Zhaoxi Sun, 2023, Journal of Molecular Liquids.

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

Zhirong Liu, Y. Cong, Zuo-Yuan Zhang, 2023, Molecules.

Anchor-Locker Binding Mechanism of the Coronavirus Spike Protein to Human ACE2: Insights from Computational Analysis

J. H. Zhang, Y. Cong, Yinghui Feng, 2021, J. Chem. Inf. Model..

Inhibiting protein-protein interactions: a model for antagonist design.

I. Otterness, Y. Cong, A. Mccoll, 2000, Biochemistry.

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

Y. Cong, Xiao Liu, L. Zheng, 2023, Molecules.

nhibition mechanism and hot-spot prediction of nine potential drugs for SARS-CoV-2 Mpro by large-scale molecular dynamic simulations combined with accurate binding free energy calculations.

J. H. Zhang, Y. Cong, Lili Duan, 2021, Nanoscale.

Insight into the significant roles of the Trp372 and flexible loop in directing the catalytic direction and substrate specificity in AGE superfamily enzymes

Y. Cong, Ruijin Yang, Xiao Hua, 2020 .

Investigating effects of bridging water on the binding of neuraminidase−ligands using computational alanine scanning combined with interaction entropy method

J. H. Zhang, Y. Cong, Lili Duan, 2021 .

Trypsin-Ligand binding affinities calculated using an effective interaction entropy method under polarized force field

Mengxin Li, Y. Cong, Yuchen Li, 2017, Scientific Reports.

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

Mengxin Li, Y. Cong, John Z. H. Zhang, 2023, Physical chemistry chemical physics : PCCP.

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

Y. Cong, John Z. H. Zhang, Lili Duan, 2023, J. Chem. Inf. Model..