相关论文: A validation strategy for in silico generated apta…
Computational design of protein-binding proteins is a fundamental capability with broad utility in biomedical research and biotechnology. Recent methods have made strides against some target proteins, but on-demand creation of high-affinity…
The Automated Contact Angle Tester (ACAT) is a fully integrated robotic work cell developed to automate the measurement of surface wettability on 3D-printed materials. Designed for precision, repeatability, and safety, ACAT addresses the…
We review nine invariant and dispersion-type anisotropic hyperelastic constitutive models for soft biological tissues based on their fitting performance to experimental data from three different human tissues. For this, we used a hybrid…
Complex phenomena in engineering and the sciences are often modeled with computationally intensive feed-forward simulations for which a tractable analytic likelihood does not exist. In these cases, it is sometimes necessary to estimate an…
Aging populations and the rising prevalence of neurological and musculoskeletal disorders increase the demand for wearable mobility assistive devices that are effective, comfortable, and anatomically compatible. Many existing systems use…
3D-IC netlist partitioning is commonly optimized using proxy objectives, while final PPA is treated as a costly evaluation rather than an optimization signal. This proxy-driven paradigm makes it difficult to reliably translate additional…
The structure of proteins is the basis for studying protein function and drug design. The emergence of AlphaFold 2 has greatly promoted the prediction of protein 3D structures, and it is of great significance to give an overall and accurate…
The development of porous polymeric membranes remains a labor-intensive process, often requiring extensive trial and error to identify optimal fabrication parameters. In this study, we present a fully automated platform for membrane…
Simulation models often have parameters as input and return outputs to understand the behavior of complex systems. Calibration is the process of estimating the values of the parameters in a simulation model in light of observed data from…
New additive manufacturing methods are needed to realize more complex soft robots. One example is soft fluidic robotics, which exploits fluidic power and stiffness gradients. Porous structures are an interesting type for this approach, as…
Motivation: Engineering high-affinity binders targeting specific antigenic determinants remains a challenging and often daunting task, requiring extensive experimental screening. Computational methods have the potential to accelerate this…
The ever increasing complexity of the hardware design process demands improved hardware design and verification methodologies. With the advent of generative AI various attempts have been made to automate parts of the design and verification…
Protein inference plays a vital role in the proteomics study. Two major approaches could be used to handle the problem of protein inference; top-down and bottom-up. This paper presents a framework for protein inference, which uses hardware…
Protein-ligand complex structures have been utilised to design benchmark machine learning methods that perform important tasks related to drug design such as receptor binding site detection, small molecule docking and binding affinity…
The success of therapeutic antibodies relies on their ability to selectively bind antigens. AI-based antibody design protocols have shown promise in generating epitope-specific designs. Many of these protocols use an inverse folding step to…
Fabricating existing and popular open-source adaptive robotic grippers commonly involves using multiple professional machines, purchasing a wide range of parts, and tedious, time-consuming assembly processes. This poses a significant…
Autodock is a widely used molecular modeling tool which predicts how small molecules bind to a receptor of known 3D structure. The current version of AutoDock uses meta-heuristic algorithms in combination with local search methods for doing…
Doping of Si using the scanning probe hydrogen depassivation lithography technique has been shown to enable placing and positioning small numbers of P atoms with nanometer accuracy. Several groups have now used this capability to build…
The accurate screening of candidate drug ligands against target proteins through computational approaches is of prime interest to drug development efforts. Such virtual screening depends in part on methods to predict the binding affinity…
Molecular docking is a key computational tool utilized to predict the binding conformations of small molecules to protein targets, which is fundamental in the design of novel drugs. Despite recent advancements in geometric deep…