Hanif M. Khan

Martini 3: a general purpose force field for coarse-grained molecular dynamics

Paulo C. T. Souza, Riccardo Alessandri, Jonathan Barnoud et al. · Nature Methods · 2021 · 1.4K citations · Full text

Engineering, Physics, Applied Physics +9

Cation-π Interactions between Methylated Ammonium Groups and Tryptophan in the CHARMM36 Additive Force Field

Hanif M. Khan, Alexander D. MacKerell, Nathalie Reuter · Journal of Chemical Theory and Computation · 2018 · 91 citations

Engineering, Computational Chemistry, Chemistry +20

A Role for Weak Electrostatic Interactions in Peripheral Membrane Protein Binding

Hanif M. Khan, Tao He, Edvin Fuglebakk et al. · Biophysical Journal · 2016 · 53 citations · Full text

Capturing Choline–Aromatics Cation−π Interactions in the MARTINI Force Field

Hanif M. Khan, Paulo C. T. Souza, Sebastian Thallmair et al. · Journal of Chemical Theory and Computation · 2020 · 52 citations · Full text

Proteinlipid Interaction, Computational Chemistry, Chemistry +17

Cryo-EM structure of the sodium-driven chloride/bicarbonate exchanger NDCBE

Wei‐Guang Wang, Kirill Tsirulnikov, Hristina R. Zhekova et al. · Nature Communications · 2021 · 50 citations · Full text