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Free Energy-Based Refinement of DNA Force Field via Modification of Multiple Nonbonding Energy Terms.
J Chem Inf Model
December 2024
Department of Chemistry and Institute of Functional Materials, Pusan National University, Busan 46241, South Korea.
The amber-OL21 force field (ff) was developed to better describe noncanonical DNA, including Z-DNA. Despite its improvements for DNA simulations, this study found that OL21's scope of application was limited by embedded ff artifacts. In a benchmark set of seven DNA molecules, including two double-stranded DNAs transitioning between B- and Z-DNA and five single-stranded DNAs folding into mini-dumbbell or G-quadruplex structures, the free energy landscapes obtained using OL21 revealed several issues: Z-DNA was overly stabilized; misfolded states in mini-dumbbell DNAs were most stable; DNA GQ folding was consistently biased toward an antiparallel topology.
View Article and Find Full Text PDFClinical feasibility of Ethos auto-segmentation for adaptive whole-breast cancer treatment.
Front Oncol
December 2024
Radiotherapy Department, Montpellier Regional Cancer Institute, Montpellier, France.
Introduction: Following a preliminary work validating the technological feasibility of an adaptive workflow with Ethos for whole-breast cancer, this study aims to clinically evaluate the automatic segmentation generated by Ethos.
Material And Methods: Twenty patients initially treated on a TrueBeam accelerator for different breast cancer indications (right/left, lumpectomy/mastectomy) were replanned using the Ethos emulator. The adaptive workflow was performed using 5 randomly selected extended CBCTs per patient.
Offset sublaminar hook is an efficient tool for the prevention of distal junctional failure after kyphotic deformity correction.
Spine Deform
December 2024
Clinique du Dos, Elsan Jean Villar Private Hospital, Bordeaux, France.
Purpose: To assess the radiological outcomes and complications focusing on distal junctional failure (DJF) of adult spinal deformity patients who underwent thoracolumbar fixation with the use of offset sublaminar hooks (OSH) distally.
Methods: Retrospective review of a prospective, multicenter adult spinal deformity database (2 sites). Inclusion criteria were age of at least 18 years, presence of a spinal deformity with thoraco-lumbar instrumentation ending distally with OSH (pelvis excluded), with minimum 2 years of follow-up.
revisited.
Stud Mycol
December 2024
State Key Laboratory of Mycology, Institute of Microbiology, Chinese Academy of Sciences, Beijing 100101, China.
is a species-rich and cosmopolitan fungal family including species of plant pathogens, endophytes or saprobes, and parasites of humans and animals. The taxonomy of has recently been revised using a polyphasic approach. However, much remains unknown about the diversity of species and their host associations.
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