Introduction to Computational and Theoretical Studies Focused on Self-Assembly and Molecular Organization.

J Chem Theory Comput

Department of Chemical and Biomolecular Engineering, Ohio University, Athens, Ohio 45701, United States.

Published: February 2024

Download full-text PDF

Source
http://dx.doi.org/10.1021/acs.jctc.4c00147DOI Listing

Publication Analysis

Top Keywords

introduction computational
4
computational theoretical
4
theoretical studies
4
studies focused
4
focused self-assembly
4
self-assembly molecular
4
molecular organization
4
introduction
1
theoretical
1
studies
1

Similar Publications

Service transformation plays a pivotal role in achieving the sustainable development of the sports industry. This study originates from the interactive relationships among sports enterprises, consumers, and regulatory authorities, proposing a logical framework for the service transformation of the sports industry. Furthermore, a three-party evolutionary game model is constructed to explore the strategic evolution and stability conditions under both single-agent and multi-agent scenarios.

View Article and Find Full Text PDF

In cybersecurity, anomaly detection in tabular data is essential for ensuring information security. While traditional machine learning and deep learning methods have shown some success, they continue to face significant challenges in terms of generalization. To address these limitations, this paper presents an innovative method for tabular data anomaly detection based on large language models, called "Tabular Anomaly Detection via Guided Prompts" (TAD-GP).

View Article and Find Full Text PDF

Internet-based cognitive behavioral therapy for alcohol use disorder: A systematic review of evidence and future potential.

J Subst Use Addict Treat

January 2025

Department of Psychiatry and Psychology, Cleveland Clinic, Cleveland, OH, United States; Department of Psychiatry, University Hospitals, Cleveland, OH, United States. Electronic address:

Introduction: While cognitive behavioral therapy (CBT) remains a highly effective psychotherapy approach for managing Alcohol Use Disorder (AUD), its potential is hindered by workforce shortages and access barriers. In response to these challenges, Internet-Based Cognitive Behavioral Therapy (iCBT) has emerged as an innovative solution that integrates the core CBT structure with technology. In iCBT, educational materials, therapist communication and progress dashboards can be centralized in a digital format, and delivered in a self-guided, therapist-guided or blended approach.

View Article and Find Full Text PDF

Introduction: Our previous work demonstrated that evaluating large ischemic cores using the apparent diffusion coefficient (ADC) could predict EVT outcomes, with the most frequent ADC (peak ADC) ≥520×10 mm/s associated with better clinical results. Since the degree of ADC reduction reflects the severity of ischemic stress, this study aimed to assess the utility of an ADC color map in visualizing this stress.

Patients And Methods: This retrospective cohort study included consecutive patients with a low Alberta Stroke Program Early Computed Tomography Score (ASPECTS) using diffusion-weighted imaging (DWI) who underwent successful EVT recanalization between April 2014 and March 2023.

View Article and Find Full Text PDF

Osseointegration for transfemoral amputees: Influence of femur length and implant sizing on bone-implant contact and alignment.

Injury

January 2025

Department of Orthopedic Surgery, McGovern Medical School, UTHealth Science Center at Houston, 5420 West Loop S. Suite 1300, Bellaire, TX, 77401, USA. Electronic address:

Introduction: Clinical data on osseointegration (OI) for limb replacement indicates a concerning increase in mechanical complications after five years post-implantation. Since adequate bone-implant contact and proper implant alignment are critical factors for successful osseointegration, it is essential to identify the factors influencing these outcomes. This study aimed to assess the effects of residual femur length and implant sizing on bone-implant contact and implant alignment.

View Article and Find Full Text PDF

Want AI Summaries of new PubMed Abstracts delivered to your In-box?

Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!