Zheng Zheng

13 papers Journal 13
YearRankTypeTitle / Venue / Authors
2025 J jnl
Accommodating Statistical and Physics-Based Computational Protocols for Molecular Glue Model and Evaluation.
J. Chem. Inf. Model.
Qixuan Xu, Wenlang Liu, Hao Liu, Zheng Zheng
2025 J jnl
DihedralsDiff: A Diffusion Conformation Generation Model That Unifies Local and Global Molecular Structures.
J. Chem. Inf. Model.
Jianhui Xiao, Zheng Zheng, Hao Liu
2023 J jnl
Molecular Insights on the Conformational Transitions and Activity Regulation of the c-Met Kinase Induced by Ligand Binding.
J. Chem. Inf. Model.
Zhenhao Liu, Kuan Liang, Wenlang Liu, Tao Jiang, Rui Zhou, Mojie Duan, Zheng Zheng
2022 J jnl
Free Energy Calculations Using the Movable Type Method with Molecular Dynamics Driven Protein-Ligand Sampling.
J. Chem. Inf. Model.
Wenlang Liu, Zhenhao Liu, Hao Liu, Lance M. Westerhoff, Zheng Zheng
2022 J jnl
The Conformational Transition Pathways and Hidden Intermediates in DFG-Flip Process of c-Met Kinase Revealed by Metadynamics Simulations.
J. Chem. Inf. Model.
Tao Jiang, Zhenhao Liu, Wenlang Liu, Jiawen Chen, Zheng Zheng, Mojie Duan
2020 J jnl
MovableType Software for Fast Free Energy-Based Virtual Screening: Protocol Development, Deployment, Validation, and Assessment.
J. Chem. Inf. Model.
Zheng Zheng, Oleg Y. Borbulevych, Hao Liu, Jianpeng Deng, Roger I. Martin, Lance M. Westerhoff
2019 J jnl
Random Forest Refinement of Pairwise Potentials for Protein-Ligand Decoy Detection.
J. Chem. Inf. Model.
Jun Pei, Zheng Zheng, Hyunji Kim, Lin Frank Song, Sarah Walworth, Margaux R. Merz, Kenneth M. Merz Jr.
2019 J jnl
Random Forest Refinement of the KECSA2 Knowledge-Based Scoring Function for Protein Decoy Detection.
J. Chem. Inf. Model.
Jun Pei, Zheng Zheng, Kenneth M. Merz Jr.
2018 J jnl
Detailed potential of mean force studies on host-guest systems from the SAMPL6 challenge.
J. Comput. Aided Mol. Des.
Lin Frank Song, Nupur Bansal, Zheng Zheng, Kenneth M. Merz Jr.
2017 J jnl
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.
Nupur Bansal, Zheng Zheng, David S. Cerutti, Kenneth M. Merz Jr.
2013 J jnl
Development of the Knowledge-Based and Empirical Combined Scoring Algorithm (KECSA) To Score Protein-Ligand Interactions.
J. Chem. Inf. Model.
Zheng Zheng, Kenneth M. Merz Jr.
2012 J jnl
Prediction of trypsin/molecular fragment binding affinities by free energy decomposition and empirical scores.
J. Comput. Aided Mol. Des.
Mark L. Benson, John C. Faver, Melek N. Ucisik, Danial S. Dashti, Zheng Zheng, Kenneth M. Merz Jr.
2011 J jnl
Ligand Identification Scoring Algorithm (LISA).
J. Chem. Inf. Model.
Zheng Zheng, Kenneth M. Merz Jr.