Zheng Zheng

Publication Activity (10 Years)

Years Active: 2011-2023
Publications (10 Years): 8

Top Topics

Virtual Screening

Protein Protein

Base Classifiers

Top Venues

J. Chem. Inf. Model.

J. Comput. Aided Mol. Des.

Publications

Zhenhao Liu, Kuan Liang, Wenlang Liu, Tao Jiang, Rui Zhou, Mojie Duan, Zheng Zheng
Molecular Insights on the Conformational Transitions and Activity Regulation of the c-Met Kinase Induced by Ligand Binding. J. Chem. Inf. Model. 63 (13) (2023)
Wenlang Liu, Zhenhao Liu, Hao Liu, Lance M. Westerhoff, Zheng Zheng
Free Energy Calculations Using the Movable Type Method with Molecular Dynamics Driven Protein-Ligand Sampling. J. Chem. Inf. Model. 62 (22) (2022)
Tao Jiang, Zhenhao Liu, Wenlang Liu, Jiawen Chen, Zheng Zheng, Mojie Duan
The Conformational Transition Pathways and Hidden Intermediates in DFG-Flip Process of c-Met Kinase Revealed by Metadynamics Simulations. J. Chem. Inf. Model. 62 (15) (2022)
Zheng Zheng, Oleg Y. Borbulevych, Hao Liu, Jianpeng Deng, Roger I. Martin, Lance M. Westerhoff
MovableType Software for Fast Free Energy-Based Virtual Screening: Protocol Development, Deployment, Validation, and Assessment. J. Chem. Inf. Model. 60 (11) (2020)
Jun Pei, Zheng Zheng, Kenneth M. Merz Jr.
Random Forest Refinement of the KECSA2 Knowledge-Based Scoring Function for Protein Decoy Detection. J. Chem. Inf. Model. 59 (5) (2019)
Jun Pei, Zheng Zheng, Hyunji Kim, Lin Frank Song, Sarah Walworth, Margaux R. Merz, Kenneth M. Merz Jr.
Random Forest Refinement of Pairwise Potentials for Protein-Ligand Decoy Detection. J. Chem. Inf. Model. 59 (7) (2019)
Lin Frank Song, Nupur Bansal, Zheng Zheng, Kenneth M. Merz Jr.
Detailed potential of mean force studies on host-guest systems from the SAMPL6 challenge. J. Comput. Aided Mol. Des. 32 (10) (2018)
Nupur Bansal, Zheng Zheng, David S. Cerutti, Kenneth M. Merz Jr.
On the fly estimation of host-guest binding free energies using the movable type method: participation in the SAMPL5 blind challenge. J. Comput. Aided Mol. Des. 31 (1) (2017)
Zheng Zheng, Kenneth M. Merz Jr.
Development of the Knowledge-Based and Empirical Combined Scoring Algorithm (KECSA) To Score Protein-Ligand Interactions. J. Chem. Inf. Model. 53 (5) (2013)
Mark L. Benson, John C. Faver, Melek N. Ucisik, Danial S. Dashti, Zheng Zheng, Kenneth M. Merz Jr.
Prediction of trypsin/molecular fragment binding affinities by free energy decomposition and empirical scores. J. Comput. Aided Mol. Des. 26 (5) (2012)
Zheng Zheng, Kenneth M. Merz Jr.
Ligand Identification Scoring Algorithm (LISA). J. Chem. Inf. Model. 51 (6) (2011)