相关论文: A validation strategy for in silico generated apta…
Computer simulators are nowadays widely used to understand complex physical systems in many areas such as aerospace, renewable energy, climate modeling, and manufacturing. One fundamental issue in the study of computer simulators is known…
The complexity of droplet microfluidics grows by implementing parallel processes and multiple functionalities on a single device. This poses a challenge to the engineer designing the microfluidic networks. In today's design processes, the…
The application of granular jamming in soft robotics is a recent and promising new technology offer exciting possibilities for creating higher performance robotic devices. Granular jamming is achieved via the application of a vacuum…
Atomic force microscopy (AFM) is one of the most promising methods for investigating the structure of materials at the micro and nanoscale levels, as well as their local physical-mechanical properties. The experimental data obtained with…
In this contribution, a design of a synthetic calibration genetic circuit to characterize the relative strength of different sensing promoters is proposed and its specifications and performance are analyzed via an effective mathematical…
The rise in additive manufacturing comes with unique opportunities and challenges. Massive part customization and rapid design changes are made possible with additive manufacturing, however, manufacturing industries that desire the…
The downscaling of silicon-based structures and proto-devices has now reached the single atom scale, representing an important milestone for the development of a silicon-based quantum computer. One especially notable platform for atomic…
We propose a deep learning method to model and generate synthetic aortic shapes based on representing shapes as the zero-level set of a neural signed distance field, conditioned by a family of trainable embedding vectors with encode the…
Certification for machine learning is proving that no adversarial sample can evade a model within a range under certain conditions, a necessity for safety-critical domains. Common certification methods for segmentation use a flat set of…
We have developed an analytical, ligand-specific and scalable algorithm that detects a "signature" of the 3D binding site of a given ligand in a protein 3D structure. The said signature is a 3D motif in the form of an irregular tetrahedron…
Structurally and chemically complex materials such as amorphous metallosilicates underpin major catalytic and separation technologies, yet their intrinsic complexity challenges reliable atomistic modeling under realistic conditions.…
Structure-based molecular ML (SBML) models can be highly sensitive to input geometries and give predictions with large variance. We present an approach to mitigate the challenge of selecting conformations for such models by generating…
Aptamers, short synthetic RNA/DNA molecules binding specific targets with high affinity and specificity, are utilized in an increasing spectrum of bio-medical applications. Aptamers are identified in vitro via the Systematic Evolution of…
We present a new simulation scheme which allows an efficient sampling of reconfigurable supramolecular structures made of polymeric constructs functionalized by reactive binding sites. The algorithm is based on the configurational bias…
This paper presents a systematic topology optimization framework for designing a soft pneumatic gripper (SPG), explicitly considering the design-dependent nature of the actuating load. The load is modeled using Darcy's law with an added…
The paper presents an approach for building consistent and applicable clinical decision support systems (CDSSs) using a data-driven predictive model aimed at resolving the problem of low applicability and scalability of CDSSs in real-world…
Adaptive seamless designs combine confirmatory testing, a domain of phase III trials, with features such as treatment or subgroup selection, typically associated with phase II trials. They promise to increase the efficiency of development…
This survey aims at providing a comprehensive overview of the recent trends in the field of modeling and simulation (M&S) of interactions between users and recommender systems and applications of the M&S to the performance improvement of…
Therapeutic antibody candidates often require extensive engineering to improve key functional and developability properties before clinical development. This can be achieved through iterative design, where starting molecules are optimized…
The development of new manufacturing techniques such as 3D printing have enabled the creation of previously infeasible chemical reactor designs. Systematically optimizing the highly parameterized geometries involved in these new classes of…