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List of works by Jinfeng Liu

A Coupled Ionization-Conformational Equilibrium Is Required To Understand The Properties of Ionizable Residues in the Hydrophobic Interior of Staphylococcal Nuclease.

scientific article published on 8 January 2018

Accurate prediction of energetic properties of ionic liquid clusters using a fragment-based quantum mechanical method.

scientific article published in August 2017

Fragment Quantum Mechanical Method for Large-Sized Ion-Water Clusters

scientific article published on 5 April 2017

Fragment quantum chemical approach to geometry optimization and vibrational spectrum calculation of proteins

scientific article published on 21 December 2015

Fragment-based quantum mechanical approach to biomolecules, molecular clusters, molecular crystals and liquids

scientific article published on 27 May 2020

Hydrogen-bond structure dynamics in bulk water: insights from ab initio simulations with coupled cluster theory.

scientific article published on 4 December 2017

Improving the scoring of protein-ligand binding affinity by including the effects of structural water and electronic polarization

scientific article published on 20 May 2013

Prediction of Excited-State Properties of Oligoacene Crystals Using Fragment-Based Quantum Mechanical Method

scientific article published on 25 June 2019

Probing the Ion-Specific Effects at the Water/Air Interface and Water-Mediated Ion Pairing in Sodium Halide Solution with Ab initio Molecular Dynamics

article

QM Implementation in Drug Design: Does It Really Help?

scientific article published on 01 January 2020

Structure of liquid water - a dynamical mixture of tetrahedral and 'ring-and-chain' like structures

scientific article published on 25 April 2017

Toward High-level Machine Learning Potential for Water Based on Quantum Fragmentation and Neural Networks

scientific article published in 2022

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