8 papers · ranked by Valyu relevance
Kunyu Wang, Jon Paul Janet, Alessandro Tibo
Three-dimensional molecular generative models have emerged that produce de novo molecules both unconditionally and conditionally, e.g., within protein pockets. However, steering those models in a specific region of the chemical space that satisfies a set of desired properties remains challenging. In this study, we…
Minha Park, Shinwoo Kim, Seokhyun Moon, Hyeongwoo Kim + 2 more
Co-folding models accurately predict biomolecular complexes, but how their internal representations support joint structure prediction remains unclear. We analyze the Boltz-1 trunk by decomposing its pair representation into intra-chain and inter-chain blocks and applying ablation, layer-wise representation geometry…
Arthur Zwaenepoel
We consider polygenic divergent selection in a mainland-island model, where our aim is to understand how patterns of genetic variation along the genome reflect the genetic architecture of postzygotic reproductive isolation. We derive a new expression for the effective migration rate (m_e_) at both neutral and…
Marie Drottar, Chan-Mi Kim, Howard J. Cabral, Corinna M. Bauer + 1 more
This study investigated the potential differences in diffusion microstructure of the CC subdivisions in CVI as compared with typically developing and sighted controls. The association of CC diffusion measures and extent of visual difficulties based on the Flemish CVI Questionnaire was also investigated in an…
Ugo Gianazza, Naian Liao, José Miguel Urbano
We substantially improve in two scenarios the current state-of-the-art modulus of continuity for weak solutions to the N- N -dimensional, two-phase Stefan problem featuring a p- p -degenerate diffusion: for p=N≥ 3 p = N ≥ 3, we sharpen it to \boldsymbol{\omega}r \approx \exp -c| \ln r|^{\frac{1}{N}}; for $p>\max{2,N}$…
John Tower
Biological information is generally thought to be subject to selection for faithful maintenance. However, accurate preservation is often combined with regulated mechanisms that generate state change. Selectively advantageous instability (SAI) is modeled here as instability that is favored because useful alternatives…
Lou Thomas, Gaia Scerif, Hodo Yusuf, Mackenzie Laird + 3 more
Diffusion decision models (DDMs) offer the potential to go beyond standard accuracy and response-time indices to better understand perceptual decision-making in autism. One unanswered question is whether autistic participants can flexibly adjust the speed and accuracy of their decision-making according to task demands.…
William JF Rieger, Sebastian Häussermann, Luca Herrmann, Zecheng Li + 8 more
Enzymes frequently exhibit promiscuous activity beyond their native roles, providing starting-points for new functions. Finding these promiscuous enzymes, especially for non-native chemical transformations, is challenging but highly valuable, as they promise novel, sustainable solutions for chemistry and biotechnology.…