Results 81 to 90 of about 2,101,144 (285)

Protein-small molecule binding site prediction based on a pre-trained protein language model with contrastive learning

Journal of Cheminformatics
Predicting protein-small molecule binding sites, the initial step in structure-guided drug design, remains challenging for proteins lacking experimentally derived ligand-bound structures. Here, we propose CLAPE-SMB, which integrates a pre-trained protein
Jue Wang, Yufan Liu, Boxue Tian
doaj   +1 more source

A mathematical model for processes of structure analysis

Computer Assisted Methods in Engineering and Science, 2023
Generally, path-following algorithms are used for the history analysis of structures. Now, a new approach is presented for solving the problem by parametric optimization. The optimization problem is solved in a direct product of function spaces.
Anna Vásárhelyi
doaj  

A Thermodynamic 3D Model for the Simulation of Diffusion‐Controlled Alloying Processes in Heterogeneous Material Structures

Advanced Engineering Materials, EarlyView.
A numerical model resulting from irreversible thermodynamics for describing transport processes is introduced, focusing on thermodynamic activity gradients as the actual driving force for diffusion. Implemented in CUDA C++ and using CalPhaD methods for determining the necessary activity data, the model accurately simulates interdiffusion in aluminum ...
Ulrich Holländer, Leonhard Holländer, André Langohr, Hans Jürgen Maier   +3 more
wiley   +1 more source

concept structure of student in mathematical literacy

Journal Focus Action of Research Mathematic
Mathematical literacy is crucial for students to apply mathematical concepts in real-world contexts. This study investigated the structure of students' concepts in mathematical literacy, focusing on a case study of a single eighth-grade student (S11) at ...
Hadi Sopandi, Supratman, Sinta Verawati Dewi   +2 more
doaj   +1 more source

Air‐Pressure–Actuated Vibroacoustic Metamaterial With Tunable Bandgap: Design, Modeling, and Characterization

Advanced Engineering Materials, EarlyView.
This article presents the design, modeling, and characterization of air‐pressure–actuated programmable vibroacoustic metamaterials (PVAMM). The study focuses on leveraging air pressure to dynamically tune resonance frequencies for effective noise attenuation.
William Kaal, Michael M. Becker, Sarah C. L. Fischer   +2 more
wiley   +1 more source

Mathematical Structure of Loop Quantum Cosmology: Homogeneous Models

Symmetry, Integrability and Geometry: Methods and Applications, 2013
The mathematical structure of homogeneous loop quantum cosmology is analyzed, starting with and taking into account the general classification of homogeneous connections not restricted to be Abelian.
Martin Bojowald
doaj   +1 more source

The tools of cloud technology for learning of fundamentals of mathematical informatics for students of technical universities

CTE Workshop Proceedings, 2018
Objectives of the study: the development of a common structure of cloud technology tools for learning of fundamentals of mathematical informatics. Research objectives: to classify the resources of cloud study in the basics of mathematical informatics ...
Oksana M. Markova
doaj   +1 more source

Modeling of deformation processes in rock massif in the vicinity of underground goafs considering the formation of discontinuity zones

Theoretical and Applied Mechanics Letters, 2020
: The construction of mechanical-mathematical model and numerical method for the deformation processes of rock massifs with goafs and underground structures is very complex and also important task in modern rock mechanics.
Michael Zhuravkov, Shunying Ji, Aleg Kanavalau   +2 more
doaj   +1 more source

Setup‐Optimized Sequencing in Job Shops: Modeling Workstation Productivity and Lateness Behavior

Advanced Engineering Materials, EarlyView.
Setup‐optimized sequencing in job‐shop production creates a trade‐off between productivity improvement and schedule reliability. A WIP‐explicit modeling framework links sequencing‐induced productivity gains and lateness dispersion through the production operating curve.
Friederike Stefanowski, Matthias Schmidt, Peter Nyhuis   +2 more
wiley   +1 more source

Mathematical Foundations for a Compositional Distributional Model of Meaning [PDF]

, 2010
We propose a mathematical framework for a unification of the distributional theory of meaning in terms of vector space models, and a compositional theory for grammatical types, for which we rely on the algebra of Pregroups, introduced by Lambek.
Clark, Stephen, Coecke, Bob, Sadrzadeh, Mehrnoosh   +2 more
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