相关论文: SHREC 2025: Protein surface shape retrieval includ…
In this work, we propose a multi-scale protocol for routine theoretical studies of chemical reaction mechanisms. The initial reaction paths of our investigated systems are sampled using the Nudged-Elastic Band (NEB) method driven by a cheap…
In this paper we study the problem of shape part retrieval in the point cloud domain. Shape retrieval methods in the literature rely on the presence of an existing query object, but what if the part we are looking for is not available? We…
Protein structure prediction (PSP) is computationally a very challenging problem. The challenge largely comes from the fact that the energy function that needs to be minimised in order to obtain the native structure of a given protein is…
The phase retrieval problem in the presence of noise aims to recover the signal vector of interest from a set of quadratic measurements with infrequent but arbitrary corruptions, and it plays an important role in many scientific…
Revealing the structure of complex biological macromolecules, such as proteins, is an essential step for understanding the chemical mechanisms that determine the diversity of their functions. Synchrotron based x-ray crystallography and…
Enzymes are important proteins that catalyze chemical reactions. In recent years, machine learning methods have emerged to predict enzyme function from sequence; however, there are no standardized benchmarks to evaluate these methods. We…
Spatial proteomics maps protein distributions in tissues, providing transformative insights for life sciences. However, current sequencing-based technologies suffer from low spatial resolution, and substantial inter-tissue variability in…
Adaptation methods are developed to adapt depth foundation models to endoscopic depth estimation recently. However, such approaches typically under-perform training since they limit the parameter search to a low-rank subspace and alter the…
Well-maintained road networks are crucial for achieving Sustainable Development Goal (SDG) 11. Road surface damage not only threatens traffic safety but also hinders sustainable urban development. Accurate detection, however, remains…
Proteins perform critical processes in all living systems: converting solar energy into chemical energy, replicating DNA, as the basis of highly performant materials, sensing and much more. While an incredible range of functionality has…
As proteins typically have charges of around 10, they will interact strongly with charged surfaces. We calculate the electrostatic contribution to the interaction of crystals of protein with charged surfaces. The surfaces repel like-charged…
We propose a novel method for reconstructing explicit parameterized surfaces from Signed Distance Fields (SDFs), a widely used implicit neural representation (INR) for 3D surfaces. While traditional reconstruction methods like Marching…
Phase retrieval (PR) is an important component in modern computational imaging systems. Many algorithms have been developed over the past half-century. Recent advances in deep learning have introduced new possibilities for a robust and fast…
A generalized understanding of protein dynamics is an unsolved scientific problem, the solution of which is critical to the interpretation of the structure-function relationships that govern essential biological processes. Here, we approach…
We propose a simple scheme to estimate potential energy surface (PES) with which the accuracy can be easily controlled and improved up to the level of the density functional theory (DFT) calculations. It is based on a model selection within…
Structure-based protein design has attracted increasing interest, with numerous methods being introduced in recent years. However, a universally accepted method for evaluation has not been established, since the wet-lab validation can be…
A novel 3D shape classification scheme, based on collaborative representation learning, is investigated in this work. A data-driven feature-extraction procedure, taking the form of a simple projection operator, is in the core of our…
Surface electromyography (sEMG) has demonstrated significant potential in simultaneous and proportional control (SPC). However, existing algorithms for predicting joint angles based onsEMGoften suffer fromhigh inference costs or are limited…
The dynamic nature of proteins is crucial for determining their biological functions and properties, for which Monte Carlo (MC) and molecular dynamics (MD) simulations stand as predominant tools to study such phenomena. By utilizing…
Interactive molecular graphics applications facilitate analysis of three dimensional protein structures. Naturally, non-interactive 2-D snapshots of the protein structures do not convey the same level of geometric detail. Several 2-D…