Computational biology and artificial intelligence in mRNA vaccine design for cancer immunotherapy
S Imani, X Li, K Chen, M Maghsoudloo… - Frontiers in Cellular …, 2025 - frontiersin.org
Messenger RNA (mRNA) vaccines offer an adaptable and scalable platform for cancer
immunotherapy, requiring optimal design to elicit a robust and targeted immune response …
immunotherapy, requiring optimal design to elicit a robust and targeted immune response …
X-ray crystallography module in MD simulation program amber 2023. Refining the models of protein crystals
O Mikhailovskii, SA Izmailov, Y Xue… - Journal of Chemical …, 2023 - ACS Publications
The MD simulation package Amber offers an attractive platform to refine crystallographic
structures of proteins:(i) state-of-the-art force fields help to regularize protein coordinates …
structures of proteins:(i) state-of-the-art force fields help to regularize protein coordinates …
An immunoinformatics and structural vaccinology approach to design a novel and potent multi-epitope base vaccine targeting Zika virus
MA Hakami - BMC chemistry, 2024 - Springer
Zika virus is an infectious virus, that belongs to Flaviviridae family, which is transferred to
humans through mosquito vectors and severely threatens human health; but, apart from …
humans through mosquito vectors and severely threatens human health; but, apart from …
[HTML][HTML] Waterless structures in the Protein Data Bank
The absence of solvent molecules in high-resolution protein crystal structure models
deposited in the Protein Data Bank (PDB) contradicts the fact that, for proteins crystallized …
deposited in the Protein Data Bank (PDB) contradicts the fact that, for proteins crystallized …
Molecular-dynamics simulations of macromolecular diffraction, part I: Preparation of protein crystal simulations
DC Wych, ME Wall - Methods in enzymology, 2023 - Elsevier
Molecular-dynamics (MD) simulations of protein crystals enable the prediction of structural
and dynamical features of both the protein and the solvent components of macromolecular …
and dynamical features of both the protein and the solvent components of macromolecular …
MD simulations of macromolecular crystals: Implications for the analysis of Bragg and diffuse scattering
DA Case - Methods in Enzymology, 2023 - Elsevier
Some of our most detailed information about structure and dynamics of macromolecules
comes from X-ray-diffraction studies in crystalline environments. More than 170,000 atomic …
comes from X-ray-diffraction studies in crystalline environments. More than 170,000 atomic …
In some cases more complicated approaches to refinement of macromolecular structures are not necessary
Z Dauter, A Wlodawer - IUCrJ, 2024 - journals.iucr.org
The manuscriptModeling a unit cell: crystallographic refinement procedure using the
biomolecular MD simulation platform Amber'presents a novel protein structure refinement …
biomolecular MD simulation platform Amber'presents a novel protein structure refinement …
基于蛋白质受体的药物分子计算机辅助设计策略.
袁素素， 叶秀云， 鄢仁祥 - Chinese Journal of Bioinformatics, 2024 - search.ebscohost.com
药物分子计算机辅助设计是一种在计算机或者理论上通过构建具有一定潜在药理活性的新化学
实体的分子模拟方法. 近十几年来, 高通量组学技术的快速发展为生物和化学药物分子设计提供 …
实体的分子模拟方法. 近十几年来, 高通量组学技术的快速发展为生物和化学药物分子设计提供 …