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Journals

Genome-wide detection of DNA double-strand breaks

Author(s)
Sierra Miller, Samantha Maragh
DNA double-strand breaks (DSBs) pose a major threat to genome stability, if not promptly and properly repaired. Understanding where, along the genome, DSBs...

Reference Correlation of the Thermal Conductivity of Neon

Author(s)
Marc Assael, Sofia Sotiriadou, Monika Thol, Marcia Huber
A new wide-ranging correlation for the thermal conductivity of neon, based on the most recent ab-initio dilute gas theoretical calculations, a simplified...

Structure-Property Relationships for Biodegradability in Copolyesters

Author(s)
Katharina Fransen, Julia Casey, Gabrielle Godbille-Cardona, Natalie Mamrol, Jiale Shi, Alex Zappi, Jignesh Mahajan, Jiarui Lu, Debra Audus, Bradley Olsen
With growing concerns about increasing plastic pollution, interest in biodegradable polymers, particularly polyesters, continues to grow. Copolymerization is an...

Erratum: "Anisotropic coarse-grain Monte Carlo simulations of lysozyme, lactoferrin, and NISTmAb by precomputing atomistic models" [J. Chem. Phys., 161, 094113 (2024)]

Author(s)
Harold Hatch, Christina Bergonzo, Marco Blanco, Guangcui N. Yuan, Sergei Grudinin, Mikael Lund, Joseph E. Curtis, Alexander Grishaev, Yun Liu, Vincent Shen
The authors initiate a correction to Hatch et al. [J. Chem. Phys., 161, 094113 (2024)]. If the particles are of the same type, particle swap symmetry was...

From Intermolecular Poses to Thermodynamics Using Subdivided Spheres

Author(s)
Isabel Vinterbladh, Jordan Bye, Robin Curtis, Harold Hatch, Sergei Grudinin, Mikael Lund
Computing molecular thermodynamic properties is instrumental in multiple scientific disciplines, such as statistical physics, N-body simulations, and molecular...

130-nm CMOS-Integrated Superparamagnetic Tunnel Junction-Based p-bit

Author(s)
Nuno Cacoilo, Juyoung Yoon, Advait Madhavan, Jabez McClelland, Shun Kanai, Shunsuke Fukami, William Borders
Probabilistic computers offer promising solutions for computationally hard problems in domains such as combinatorial optimization and machine learning. A key...

Procedural Rigor and Reproducibility in NMR Metabolomics: Community Practices and Challenges

Author(s)
Tracey Johnston, Leo Cheng, Anastasios Theodorou, Marie Phelan, Goncalo J Gouveia, Robert Powers, Panteleimon Takis, Fabio Casu, Robert Brua, Gagandeep Kaur, Wimal Pathmasiri, Teklab Gebregiworgis, Valerie Copie
Nuclear magnetic resonance (NMR) spectroscopy is a fundamental tool of metabolomics, valued for its reproducibility, quantitative accuracy, and broad...
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