Zhuyan Guo

发表

Toward Fast and Accurate Binding Affinity Prediction with pmemdGTI: An Efficient Implementation of GPU-Accelerated Thermodynamic Integration.

Tai-Sung Lee, Darrin M York, Yuan Hu, 2017, Journal of chemical theory and computation.

The importance of protonation and tautomerization in relative binding affinity prediction: a comparison of AMBER TI and Schrödinger FEP

Yuan Hu, Darrin M. York, David A. Case, 2016, Journal of Computer-Aided Molecular Design.

Rapid Screening of Binding Affinities: Application of the λ-Dynamics Method to a Trypsin-Inhibitor System

Charles L. Brooks, Zhuyan Guo, 1998 .

Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization.

Zhuyan Guo, Frank Bennett, Rong-Sheng Yang, 2007, Journal of medicinal chemistry.

Application of the lambda-dynamics method to evaluate the relative binding free energies of inhibitors to HCV protease.

Zhuyan Guo, Rumin Zhang, James Durkin, 2003, Journal of medicinal chemistry.

Nucleation mechanism for protein folding and theoretical predictions for hydrogen‐exchange labeling experiments

Zhuyan Guo, D. Thirumalai, Zhuyan Guo, 1995 .

Discovery of (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]- 3-[2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (SCH 503034), a selective, potent, orally bioavailable hepatitis C virus NS3 protease inhibitor:

Weiying Yang, Zhuyan Guo, Andrea Hart, 2006, Journal of medicinal chemistry.

Toward the back-up of boceprevir (SCH 503034): discovery of new extended P4-capped ketoamide inhibitors of hepatitis C virus NS3 serine protease with improved potency and pharmacokinetic profiles.

Zhuyan Guo, Frank Bennett, Sumei Ruan, 2009, Journal of medicinal chemistry.

The introduction of P4 substituted 1-methylcyclohexyl groups into Boceprevir: a change in direction in the search for a second generation HCV NS3 protease inhibitor.

Zhuyan Guo, Frank Bennett, X. Tong, 2010, Bioorganic & medicinal chemistry letters.

Discovery of novel hydroxamates as highly potent tumor necrosis factor-alpha converting enzyme inhibitors. Part II: optimization of the S3' pocket.

Brian McKittrick, Zhuyan Guo, Xiaoda Niu, 2008, Bioorganic & medicinal chemistry letters.