Nan-Jie Deng

According to our database1, Nan-Jie Deng authored at least 6 papers between 2013 and 2020.

Collaborative distances:
  • Dijkstra number2 of four.
  • Erdős number3 of four.

Timeline

Legend:

Book 
In proceedings 
Article 
PhD thesis 
Other 

Links

On csauthors.net:

Bibliography

2020
Absolute Protein Binding Free Energy Simulations for Ligands with Multiple Poses, a Thermodynamic Path That Avoids Exhaustive Enumeration of the Poses.
J. Comput. Chem., 2020

2017
Computing conformational free energy differences in explicit solvent: An efficient thermodynamic cycle using an auxiliary potential and a free energy functional constructed from the end points.
J. Comput. Chem., 2017

2016
Large scale free energy calculations for blind predictions of protein-ligand binding: the D3R Grand Challenge 2015.
J. Comput. Aided Mol. Des., 2016

2014
Blind prediction of HIV integrase binding from the SAMPL4 challenge.
J. Comput. Aided Mol. Des., 2014

Virtual screening of integrase inhibitors by large scale binding free energy calculations: the SAMPL4 challenge.
J. Comput. Aided Mol. Des., 2014

2013
A framework for flexible and scalable replica-exchange on production distributed CI.
Proceedings of the Extreme Science and Engineering Discovery Environment: Gateway to Discovery, 2013


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