Hanif M Khan

Publication Activity (10 Years)

Years Active: 2018-2022
Publications (10 Years): 5

Top Topics

Molecular Dynamics Simulations

Binding Protein

Single Molecule

Antimicrobial Resistance

Top Venues

Journal of chemical theory and computation

The journal of physical chemistry letters

PLoS computational biology

Journal of chemical information and modeling

This page only lists publications with an associated author ORCID identifier.

Publications

Emmanuel E Moutoussamy, Qaiser Waheed, Greta J Binford, Hanif M Khan, Shane M Moran, Anna R Eitel, Matthew H J Cordes, Nathalie Reuter
Specificity of Loxosceles α clade phospholipase D enzymes for choline-containing lipids: Role of a conserved aromatic cage. PLoS computational biology 18 (2) (2022)
Emmanuel E Moutoussamy, Hanif M Khan, Mary F Roberts, Anne Gershenson, Christophe J Chipot, Nathalie Reuter
Standard Binding Free Energy and Membrane Desorption Mechanism for a Phospholipase C. Journal of chemical information and modeling (2022)
Hanif M Khan, Paulo Cesar Telles de Souza, Sebastian Thallmair, Jonathan Barnoud, Alex H de Vries, Siewert-Jan Marrink, Nathalie Reuter
Capturing Choline-Aromatics Cation-π Interactions in the MARTINI Force Field. Journal of chemical theory and computation 16 (4) (2020)
Qaiser Waheed, Hanif M Khan, Tao He, Mary Roberts, Anne Gershenson, Nathalie Reuter
Interfacial Aromatics Mediating Cation-π Interactions with Choline-Containing Lipids Can Contribute as Much to Peripheral Protein Affinity for Membranes as Aromatics Inserted below the Phosphates. The journal of physical chemistry letters 10 (14) (2019)
Hanif M Khan, Alexander D MacKerell, Nathalie Reuter
Cation-π Interactions between Methylated Ammonium Groups and Tryptophan in the CHARMM36 Additive Force Field. Journal of chemical theory and computation 15 (1) (2018)