List of works - Haohao Fu

Accuracy of Alternate Nonpolarizable Force Fields for the Determination of Protein–Ligand Binding Affinities Dominated by Cation−π Interactions

scientific article published on 14 June 2021

Addressing Polarization Phenomena in Molecular Machines Containing Transition Metal Ions with an Additive Force Field

scientific article published on 07 February 2019

BFEE: A User-Friendly Graphical Interface Facilitating Absolute Binding Free-Energy Calculations.

scientific article published on 6 February 2018

Changes in Microenvironment Modulate the B- to A-DNA Transition

scientific article published on 28 February 2019

Click RNA for Rapid Capture and Identification of Intracellular MicroRNA Targets

scientific article published on 25 November 2019

ELF: An Extended-Lagrangian Free Energy Calculation Module for Multiple Molecular Dynamics Engines

scientific article published on 18 June 2018

Extended Adaptive Biasing Force Algorithm. An On-the-Fly Implementation for Accurate Free-Energy Calculations

scientific article

From material science to avant-garde cuisine. The art of shaping liquids into spheres

scientific article published on 26 September 2014

Insights into directional movement in molecular machines from free-energy calculations

scientific article published on 30 March 2020

Lysine Mutation of the Claw-Arm-Like Loop Accelerates Catalysis by Cellobiohydrolases

scientific article published on 03 September 2019

New Coarse Variables for the Accurate Determination of Standard Binding Free Energies

scientific article

Overcoming Free-Energy Barriers with a Seamless Combination of a Biasing Force and a Collective Variable-Independent Boost Potential

scientific article published on 09 June 2021

Repurposing Existing Molecular Machines through Accurate Regulation of Cooperative Motions

scientific article published on 31 December 2020

Reversible Self-Assembly of Nanoprobes in Live Cells for Dynamic Intracellular pH Imaging

scientific article published on 11 February 2019

Sonoporation at Small and Large Length Scales: Effect of Cavitation Bubble Collapse on Membranes.

scientific article published on 16 January 2015

Taming Rugged Free Energy Landscapes Using an Average Force

scientific article published on 04 November 2019

The Extended Generalized Adaptive Biasing Force Algorithm for Multidimensional Free-Energy Calculations.

scientific article published on 2 March 2017

The lubricating role of water in the shuttling of rotaxanes

scientific article published on 16 May 2017

List of works by Haohao Fu