Zheng Zheng - Dissemin

All papers authored by Zheng Zheng

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2020 Hao Liu, Tao Jiang, Wenlang Liu, Zheng Zheng

Computational Evaluation of the COVID-19 3c-like Protease Inhibition Mechanism, and Drug Repurposing Screening

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2019 Xue, Liu, Zheng

Application of the Movable Type Free Energy Method to the Caspase-Inhibitor BindingAffinity Study

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2018 Lin Frank Song, Nupur Bansal, Zheng Zheng

, Kenneth M. Merz

Detailed potential of mean force studies on host–guest systems from the SAMPL6 challenge

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2017 Lori A. Burns

, John C. Faver, Zheng Zheng

, Michael S. Marshall, Daniel G. A. Smith

, Kenno Vanommeslaeghe, Alexander D. MacKerell, Kenneth M. Merz, C. David Sherrill

The BioFragment Database (BFDb): An open-data platform for computational chemistry analysis of noncovalent interactions

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2016 Nupur Bansal, Zheng Zheng

, David S. Cerutti, Kenneth M. Merz

On the fly estimation of host–guest binding free energies using the movable type method: participation in the SAMPL5 blind challenge

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Nupur Bansal, Zheng Zheng

, Kenneth M. Merz

Incorporation of side chain flexibility into protein binding pockets using MTflex

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2015 Li-Li Pan, Zheng Zheng

, Ting Wang, Kenneth M. Merz

Free Energy-Based Conformational Search Algorithm Using the Movable Type Sampling Method

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Da Han, Cuichen Wu, Mingxu You, Tao Zhang, Shuo Wan, Tao Chen, Liping Qiu, Zheng Zheng

, Hao Liang, Weihong Tan

A cascade reaction network mimicking the basic functional steps of adaptive immune response

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Zheng Zheng

Movable Type Method Applied to Protein-Ligand Binding

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Zheng Zheng

, Ting Wang, Pengfei Li, Kenneth M. Merz

KECSA-Movable Type Implicit Solvation Model (KMTISM)

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2014 Melek N. Ucisik, Zheng Zheng

, John C. Faver, Kenneth M. Merz

Bringing Clarity to the Prediction of Protein–Ligand Binding Free Energies via “Blurring”

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2013 Zheng Zheng

Ligand Identification Scoring

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Zheng Zheng

, Melek N. Ucisik, Kenneth M. Merz

The Movable Type Method Applied to Protein-Ligand Binding

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Zheng Zheng

, Kenneth M. Merz

Development of the Knowledge-Based and Empirical Combined Scoring Algorithm (KECSA) To Score Protein–Ligand Interactions

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2012 Mark L. Benson, John C. Faver, Melek N. Ucisik, Danial S. Dashti, Zheng Zheng

, Kenneth M. Merz

Prediction of trypsin/molecular fragment binding affinities by free energy decomposition and empirical scores

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John C. Faver, Zheng Zheng

, Kenneth M. Merz

Erratum: “Model for the fast estimation of basis set superposition error in biomolecular systems” [J. Chem. Phys. 135, 144110 (2011)]

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John C. Faver, Zheng Zheng

, Kenneth M. Merz

Statistics-based model for basis set superposition error correction in large biomolecules

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2011 John C. Faver, Zheng Zheng

, Kenneth M. Merz

Model for the fast estimation of basis set superposition error in biomolecular systems

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Zheng Zheng

, Kenneth M. Merz

Ligand Identification Scoring Algorithm (LISA)

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Zheng Zheng

, Zhen-Ming Liu

Application of the HSAB principle for the quantitative analysis of nucleophilicity/basicity of organic compounds with lone-pair electrons

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All papers authored by Zheng Zheng