11 papers · ranked by Valyu relevance
Sarwah Al-Khalidi, Nikki R. Paul, Mohammed Al-Khalidi, Ian Powley + 3 more
Multiplex immunofluorescent imaging enables deep spatial profiling of protein expression in tissues but is often limited by reliance on proprietary reagents, dedicated hardware, and closed analysis ecosystems. Here we present CYCLOPS (Cyclic Open Platform for Spatial Proteomics), an end-to-end, open-source workflow for…
Authors not listed
Recent advances in machine learning force fields (MLFF) have significantly extended the reach of atomistic simulations. Continuous progress in this field requires reliable reference datasets, accurate MLFF architectures, and efficient active learning strategies to enable robust modeling of complex molecular and…
Ye Yuan, Zhe Li, Kaiqiang Hu, Pengwei Pan + 1 more
Head-to-tail (H2T) cyclized peptides are an increasingly important modality in drug discovery, combining high target affinity and selectivity with metabolic stability. Because their underlying chemistry is still that of a linear amino-acid chain, their linear sequence representation is the native input format of…
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A significant advancement in Merrifield’s classic solid-phase peptide synthesis (SPPS) that greatly expands the scope of accessible peptide structures is reported here. Building upon the one-bead, one-compound concept, this approach enables the simultaneous synthesis of multiple peptides on a single bead, followed by a…
Ge Zhang
bcftools is the standard toolkit for handling VCF and BCF variant files, but it processes records on a single core; its --threads option speeds up only compression of the output, not the work done on variant records. Processing large call sets is therefore slow, and users often divide the genome and reassemble the…
Jose L Figueroa, Richard Allen White
We now exist in the era of massive datasets from genomics, large language models, and all the known knowledge of humanity right at our fingertips. Much of this data is becoming more accessible; however, processing such data remains an ongoing issue across systems including high performance computing (HPC)…
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Bayesian optimization (BO) has become increasingly important for experimental optimization across scientific domains, yet implementing BO pipelines requires significant programming expertise and familiarity with specialized frameworks. This creates a barrier for domain experts who could benefit from BO but lack the…
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Background: Pharmaceutical batch scheduling in multi-reactor configurations presents complex optimization challenges under operational uncertainty, yet limited research addresses how parallel processing capacity affects heuristic performance and predictive modeling. Objectives: This study investigated scheduling…
Yuma Osako, Aineias Arango, Toshitake Asabuki
Animals flexibly combine learned behaviors into novel actions without practicing their combinations, yet the computational mechanisms that enable independently acquired computations to be expressed in parallel remain unclear. Here we show that feedback geometry during learning determines whether recurrent dynamics can…
Noam Teyssier, Alexander Dobin
Single-cell genomics is rapidly scaling toward billion-cell atlases, but computational analysis has become a critical bottleneck. Processing multiplexed datasets with existing tools requires substantial computational resources and runtime that become prohibitive at scale. Here we present cyto, an ultra highthroughput…
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Cycloaddition of CO2 to epoxides is considered to be a promising atom-efficient process for converting of the CO2 emissions to the valuable products. The present analytical review is dedicated to computational multivariance analysis of the published experimental data for homogeneously catalyzed reactions. In the vast…