List of works - Huafeng Xu

A Simple Model of Multivalent Adhesion and Its Application to Influenza Infection.

scientific article

A geodesic framework for analyzing molecular similarities.

scientific article published in March 2003

Alchemical Binding Free Energy Calculations in AMBER20: Advances and Best Practices for Drug Discovery

scientific article published on 16 September 2020

Best Practices for Alchemical Free Energy Calculations [Article v1.0]

scientific article published in 2020

Characterizing Receptor Flexibility to Predict Mutations That Lead to Human Adaptation of Influenza Hemagglutinin

scientific article published on 11 July 2022

Cochaperones enable Hsp70 to use ATP energy to stabilize native proteins out of the folding equilibrium

scientific article published in Scientific Reports

Conformational sampling by self-organization.

scientific article published in July 2003

Dynamic control of slow water transport by aquaporin 0: implications for hydration and junction stability in the eye lens

scientific article

Exploring the nonlinear geometry of protein homology.

scientific article published in August 2003

Mechanism of Na+/H+ antiporting.

scientific article

Microsecond molecular dynamics simulation shows effect of slow loop dynamics on backbone amide order parameters of proteins

scientific article

Molecular simulations minimally restrained by experimental data

scientific article published on 01 April 2019

Optimal Measurement Network of Pairwise Differences

scientific article published on 30 October 2019

Pathway and mechanism of drug binding to G-protein-coupled receptors.

scientific article

Precise Binding Free Energy Calculations for Multiple Molecules Using an Optimal Measurement Network of Pairwise Differences

scientific article published on 06 December 2021

Quantitative Characterization of the Binding and Unbinding of Millimolar Drug Fragments with Molecular Dynamics Simulations

scientific article published on 05 June 2017

Retrospect and prospect of virtual screening in drug discovery

scientific article

Stochastic Proximity Embedding: Methods and Applications.

scientific article

List of works by Huafeng Xu

A Simple Model of Multivalent Adhesion and Its Application to Influenza Infection.

A geodesic framework for analyzing molecular similarities.

Alchemical Binding Free Energy Calculations in AMBER20: Advances and Best Practices for Drug Discovery

Best Practices for Alchemical Free Energy Calculations [Article v1.0]

Characterizing Receptor Flexibility to Predict Mutations That Lead to Human Adaptation of Influenza Hemagglutinin

Cochaperones enable Hsp70 to use ATP energy to stabilize native proteins out of the folding equilibrium

Conformational sampling by self-organization.

Dynamic control of slow water transport by aquaporin 0: implications for hydration and junction stability in the eye lens

Exploring the nonlinear geometry of protein homology.

Mechanism of Na+/H+ antiporting.

Microsecond molecular dynamics simulation shows effect of slow loop dynamics on backbone amide order parameters of proteins

Molecular simulations minimally restrained by experimental data

Optimal Measurement Network of Pairwise Differences

Pathway and mechanism of drug binding to G-protein-coupled receptors.

Precise Binding Free Energy Calculations for Multiple Molecules Using an Optimal Measurement Network of Pairwise Differences

Quantitative Characterization of the Binding and Unbinding of Millimolar Drug Fragments with Molecular Dynamics Simulations

Retrospect and prospect of virtual screening in drug discovery

Stochastic Proximity Embedding: Methods and Applications.