Microscopic marvels: Decoding the role of micropeptides in innate immunity

P Naidu, M Holford - Immunology, 2024 - Wiley Online Library
The innate immune response is under selection pressures from changing environments and
pathogens. While sequence evolution can be studied by comparing rates of amino acid …

Toward atomistic models of intact severe acute respiratory syndrome coronavirus 2 via Martini coarse‐grained molecular dynamics simulations

D Wang, J Li, L Wang, Y Cao, B Kang… - Quantitative …, 2023 - Wiley Online Library
The causative pathogen of coronavirus disease 2019 (COVID‐19), severe acute respiratory
syndrome coronavirus 2 (SARS‐CoV‐2), is an enveloped virus assembled by a lipid …

Exploring the alternative conformation of a known protein structure based on contact map prediction

J Li, L Wang, Z Zhu, C Song - Journal of Chemical Information and …, 2023 - ACS Publications
The rapid development of deep learning-based methods has considerably advanced the
field of protein structure prediction. The accuracy of predicting the 3D structures of simple …

Three-Dimensional Interaction Homology: Deconstructing Residue–Residue and Residue–Lipid Interactions in Membrane Proteins

GE Kellogg - Molecules, 2024 - mdpi.com
A method is described to deconstruct the network of hydropathic interactions within and
between a protein's sidechain and its environment into residue-based three-dimensional …

Influence of the extracellular domain size on the dynamic behavior of membrane proteins

CO Gurdap, L Wedemann, T Sych, E Sezgin - Biophysical Journal, 2022 - cell.com
The dynamic behavior of plasma membrane proteins mediates various cellular processes
such as cellular motility, communication, and signaling. It is widely accepted that the …

Molecular Identification and In Silico Protein Analysis of a Novel BCOR-CLGN Gene Fusion in Intrathoracic BCOR-Rearranged Sarcoma

YC Chang Chien, K Madarász, SL Csoma, JA Mótyán… - Cancers, 2023 - mdpi.com
Simple Summary BCOR (BCL6 corepressor)-rearranged sarcoma (BRS) is a rare sarcoma
entity with a predominantly BCOR-CCNB3 fusion. In this paper, we present an index case of …

ProtRAP: Predicting lipid accessibility together with solvent accessibility of proteins in one run

K Kang, L Wang, C Song - Journal of Chemical Information and …, 2023 - ACS Publications
Solvent accessibility has been extensively used to characterize and predict the chemical
properties of the surface residues of soluble proteins. However, there is not yet a widely …

Rapid Prediction of Lipid Interaction Sites on Pleckstrin Homology Domains Using Deep Graph Neural Networks and Molecular Dynamics Simulations

KIP Le Huray, F Sobott, H Wang, AC Kalli - bioRxiv, 2023 - biorxiv.org
Interactions between membrane proteins and specific lipid molecules play a major role in
cellular biology, but characterizing these interactions can be challenging due to the …

Identification et caractérisation de formes rares de surcharge en fer: analyses structurales et fonctionnelles de la ferroportine et étude de la régulation à distance du …

K Uguen - 2022 - theses.hal.science
La ferroportine (FPN1) est le seul exportateur de fer connu chez les mammifères. Cette
protéine de 12 domaines transmembranaires fait partie de la famille des transporteurs MFS …