173 citations
- Cleveland ClinicUS3 papers
- IBM Research - AlmadenUS3 papers
- Case Western Reserve UniversityUS2 papers
- IBM Research - Thomas J. Watson Research CenterUS2 papers
- IBM (United States)US2 papers
- Sorbonne UniversitéFR2 papers
- The University of QueenslandAU2 papers
- Yale UniversityUS2 papers
- Agència de Salut Pública de CatalunyaES1 paper
- Aichi Medical UniversityJP1 paper
- Barcelona Supercomputing CenterES1 paper
- Barts Cancer InstituteGB1 paper
8 papers
A Quantum Framework for Protein Binding-Site Structure Prediction on Utility-Level Quantum Processors
Yuqi Zhang, Yuxin Yang, William Martin +8
Accurate prediction of protein active-site structures remains a central challenge in structural biology, particularly for short and flexible peptide fragments where conventional an…
Detection-Guided Deep Learning-Based Model with Spatial Regularization for Lung Nodule Segmentation
Jiasen Zhang, Mingrui Yang, Weihong Guo +3
Lung cancer ranks as one of the leading causes of cancer diagnosis and is the foremost cause of cancer-related mortality worldwide. The early detection of lung nodules plays a pivo…
Multi-view biomedical foundation models for molecule-target and property prediction
Parthasarathy Suryanarayanan, Yunguang Qiu, Shreyans Sethi +15
Quality molecular representations are key to foundation model development in bio-medical research. Previous efforts have typically focused on a single representation or molecular v…
The need to implement FAIR principles in biomolecular simulations
Rommie Amaro, Johan Åqvist, Ivet Bahar +125
This letter illustrates the opinion of the molecular dynamics (MD) community on the need to adopt a new FAIR paradigm for the use of molecular simulations. It highlights the necess…
Towards quantum computing for clinical trial design and optimization: A perspective on new opportunities and challenges
Hakan Doga, M. Emre Sahin, Joao Bettencourt-Silva +10
Clinical trials are pivotal in the drug discovery process to determine the safety and efficacy of a drug candidate. The high failure rates of these trials are attributed to deficie…
A perspective on protein structure prediction using quantum computers
Hakan Doga, Bryan Raubenolt, Fabio Cumbo +5
Despite the recent advancements by deep learning methods such as AlphaFold2, \textit{in silico} protein structure prediction remains a challenging problem in biomedical research. W…