Results 41 to 50 of about 2,281 (262)

Molecular dynamics simulations of positively selected codons in FcγRI reveal novel biochemical binding properties

FEBS Open Bio, EarlyView.
Evolutionary analysis across 32 placental mammals identified positive selection at residues H148 and W149 in the immune receptor FcγR1. Ancestral reconstruction combined with molecular dynamics simulations reveals how these mutations may influence receptor structure and dynamics, providing insight into the evolution of antibody recognition and immune ...
David A. Young, Omar Arias‐Gaguancela, Fiona Gibson, Morgan Grainger, Jodie Score, Amit Nathubhai, Mauricio Cafiero, Lee Richard Machado   +7 more
wiley   +1 more source

Comparative assessment of crystallographic and cryo‐EM models in the Protein Data Bank

FEBS Open Bio, EarlyView.
Raw data obtained by X‐ray crystallography or cryo‐EM result in experimental maps, ultimately fitted by atomic models. Although the physical principles are different, the final results can be viewed, compared, and evaluated in the same way. With cryogenic electron microscopy (cryo‐EM) on track to surpass X‐ray crystallography as the preferred method ...
Alexander Wlodawer, Pawel Rubach, Zbigniew Dauter, Wojciech Dec, Dariusz Brzezinski, Marta Kulik, Wladek Minor, Mariusz Jaskolski   +7 more
wiley   +1 more source

Differential Invariants of Conformal and Projective Surfaces

Symmetry, Integrability and Geometry: Methods and Applications, 2007
We show that, for both the conformal and projective groups, all the differential invariants of a generic surface in three-dimensional space can be written as combinations of the invariant derivatives of a single differential invariant. The proof is based
Evelyne Hubert, Peter J. Olver
doaj  

Calabi-Yau CFTs and random matrices

Journal of High Energy Physics, 2022
Using numerical methods for finding Ricci-flat metrics, we explore the spectrum of local operators in two-dimensional conformal field theories defined by sigma models on Calabi-Yau targets at large volume.
Nima Afkhami-Jeddi, Anthony Ashmore, Clay Córdova   +2 more
doaj   +1 more source

Structural and biochemical insights into the thermostable esterase Ta0887 from Thermoplasma acidophilum

FEBS Open Bio, EarlyView.
In this study, a novel esterase from the thermoacidophilic archaeon Thermoplasma acidophilum was biochemically and structurally characterized. Our results demonstrate that Ta0887 is a highly thermostable esterase that preferentially hydrolyzes p‐nitrophenyl hexanoate and possesses an α‐helical cap domain that likely contributes to its substrate ...
Alejandro Delgado‐Rey, Miriam Livier Llamas‐García, Gabriela M. Montero‐Morán, Leticia Santos, Samuel Lara‐González   +4 more
wiley   +1 more source

Superconformal algebras for twisted connected sums and G 2 mirror symmetry

Journal of High Energy Physics, 2018
We realise the Shatashvili-Vafa superconformal algebra for G 2 string compactifications by combining Odake and free conformal algebras following closely the recent mathematical construction of twisted connected sum G 2 holonomy manifolds.
Marc-Antoine Fiset
doaj   +1 more source

Is an Apple an Orange? A Large Language Model Benchmark for Candidate Term Extraction and Subclass Decisions Against Upper Ontologies in Engineering and Materials Science

Advanced Engineering Materials, EarlyView.
Building machine‐readable vocabularies for materials science is slow, expert‐driven work. This study benchmarks 13 large language models on two of its first steps: finding candidate terms in engineering articles and deciding where they belong in a class hierarchy.
Thomas Bjarsch, Maximilian Holland, Klaus Drechsler, Johannes Schilp   +3 more
wiley   +1 more source

Molecular Dynamics Studies of Shape Memory Polymers: From Bead–Spring Models to Atomistic Simulations

Advanced Engineering Materials, EarlyView.
Coarse‐grained (left) and atomistic (right) models of the shape memory polymer ESTANE ETE 75DT3 are shown schematically. The two representations bridge molecular detail and mesoscopic description. Both models capture shape memory behavior, linking segmental mobility and conformational relaxation of anisotropic chains to macroscopic recovery, and ...
Fathollah Varnik
wiley   +1 more source

Discrete differential geometry and the properties of conformal two-dimensional materials [PDF]

Synthetic Metals, 2015
Submitted on December 30, 2014 as an invited contribution to an upcoming issue on Advances in Graphene Science and Engineering. Editors: Jeanie Lau (UC-Riverside), Roland Kawakami (Ohio State) and Arthur Epstein (Ohio State).
openaire   +2 more sources

Bootstrap bounds on closed Einstein manifolds

Journal of High Energy Physics, 2020
A compact Riemannian manifold is associated with geometric data given by the eigenvalues of various Laplacian operators on the manifold and the triple overlap integrals of the corresponding eigenmodes. This geometric data must satisfy certain consistency
James Bonifacio, Kurt Hinterbichler
doaj   +1 more source