Liqun Zhang

Sep 26, 2024 | dx.doi.org | Yi Han |Nanying Ning |Zhao Wang |Liqun Zhang

Sep 12, 2024 | nature.com | Liqun Zhang

AbstractChemokine receptor CXCR4 is involved in diverse diseases. A comparative study was conducted on CXCR4 embedded in a POPC lipid bilayer binding with CXCL12 in full and truncated forms, hBD-3 in wildtype, analog, and mutant forms based on in total 63 µs all-atom MD simulations. The initial binding structures of CXCR4 with ligands were predicted using HADDOCK docking or random-seed method, then μs-long simulations were performed to refine the structures.

May 17, 2024 | sciencedirect.com | Miao Tian |Xiaohui Wang |Haixiao Wan |Liqun Zhang

Plastics have become an indispensable and ubiquitous component of our lives due to their phenomenal versatility. However, their extensive use has raised serious concerns which demand careful scrutiny due to the associated potential risks of contamination [1], [2]. The extremely slow decomposition rates are further adding to the menace by progressively accumulating plastic and thus causing adverse impacts on the environment, wildlife, and human health worldwide [3], [4].

Oct 31, 2023 | pubs.rsc.org | Qian Zhang |Cuiling Lin |Chen Chen |Liqun Zhang

Polyelectrolyte chain conformation matters in macroscopic supramolecular self-assembly We demonstrate the molecular-conformation-dependent macroscopic supramolecular self-assembly (MSA) driven by electrostatic interactions.