This review outlines the recent progress made in developing more accurate and efficient solutions to model electrostatics in systems comprised of bio-macromolecules and nano-objects, the last one referring to objects that do not have biological function themselves but nowadays are frequently used in biophysical and medical approaches in conjunction with bio-macromolecules. The problem of modeling macromolecular electrostatics is reviewed from two different angles: as a mathematical task provided the specific definition of the system to be modeled and as a physical problem aiming to better capture the phenomena occurring in the real experiments. In addition, specific attention is paid to methods to extend the capabilities of the existing solvers to model large systems toward applications of calculations of the electrostatic potential and energies in molecular motors, mitochondria complex, photosynthetic machinery and systems involving large nano-objects.
Download full-text PDF |
Source |
---|---|
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3816640 | PMC |
http://dx.doi.org/10.2478/mlbmb-2013-0002 | DOI Listing |
Lung Cancer
January 2025
Internal Medicine III, Wakayama Medical University, Wakayama, Japan.
Objectives: The lack of definitive biomarkers presents a significant challenge for chemo-immunotherapy in extensive-stage small-cell lung cancer (ES-SCLC). We aimed to identify key genes associated with chemo-immunotherapy efficacy in ES-SCLC through comprehensive gene expression analysis using machine learning (ML).
Methods: A prospective multicenter cohort of patients with ES-SCLC who received first-line chemo-immunotherapy was analyzed.
Int J Surg
October 2024
Department of Pharmacy, College of Medicine and Health Sciences, Ambo University, Ambo, Ethiopia.
Cervical cancer ranks as the fourth most common cancer among women globally, posing a significant mortality risk. Persistent infection with high-risk human papillomavirus (HPV) is the primary instigator of cervical cancer development, often alongside co-infection with other viruses, precipitating various malignancies. This study aimed to explore recent biotechnological advances in understanding HPV infection dynamics, host interactions, and its role in oncogenesis.
View Article and Find Full Text PDFJ Med Microbiol
January 2025
Programa de Ps-Graduao em Cincias Farmacuticas, Faculdade de Farmcia, Universidade Federal do Rio Grande do Sul, Porto Alegre, Brazil.
Ocular fungal infections are pathologies of slow progression, occurring mainly in the cornea, but can also affect the entire structure of the eyeball. The main aetiological agents are species of the genera and . Both diagnosis and treatment require speed and effectiveness.
View Article and Find Full Text PDFChaos
January 2025
Department of Mathematical Sciences, National Chengchi University, Taipei 11605, Taiwan.
As time progresses, the transmission pattern of a disease may change. To more precisely determine the spread behaviors of the disease, we develop non-autonomous topological and random spread models. In this article, we validate the survival characteristics of these spread models and elucidate their connection with mixing properties using the associated ξ-matrices or spread mean matrices.
View Article and Find Full Text PDFAngew Chem Int Ed Engl
January 2025
Georgia State University, Chemistry, 50 Decatur ST SE, 30303, Atlanta, UNITED STATES OF AMERICA.
Poly-N-acetyllactosamine (poly-LacNAc) is ubiquitously expressed on cell surface glycoconjugates, serving as the backbone of complex glycans and an extended scaffold that presents diverse glycan epitopes. The branching of poly-LacNAc, where internal galactose (Gal) residues have β1-6 linked N-acetylglucosamine (GlcNAc) attached, forms the blood group I-antigen, which is closely associated with various physiological and pathological processes including cancer progression. However, the underlying mechanisms remain unclear as many of the I-antigen sequences are undefined and inaccessible.
View Article and Find Full Text PDFEnter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!