output
20062026
most citedPLUMED 2: New feathers for an old bird

3.9k citations

46 papers

cs.LG2026

Trustworthy Protein-Ligand Binding Affinity Prediction via Reliability-Aware Multi-Engine Fusion

Yongchan Hong, Defu Cao, Wenjin Liu +6

Accurate protein-ligand binding affinity prediction is central to computational drug discovery, yet modern docking engines frequently disagree without indicating which prediction t…

quant-ph2026

Transient dynamics of parametric driving for single-electron image current detection in a Paul trap

Baiyi Yu, Andris Huang, Isabel Sacksteder +1

Nondestructive detection of single-electron motion is crucial for quantum information processing with electrons trapped in Paul traps. The standard approach in Penning traps is to…

physics.bio-ph2025

DNA Nanostructures Characterized via Dual Nanopore Resensing

Wangwei Dong, Zezhou Liu, Ruiyao Liu +2

DNA nanotechnology uses predictable interactions of nucleic acids to precisely engineer complex nanostructures. Characterizing these self-assembled structures at the single-structu…

physics.optics2025

Astigmatism-free 3D Optical Tweezer Control for Rapid Atom Rearrangement

Yue-Hui Lu, Nathan Song, Tai Xiang +4

Reconfigurable neutral-atom arrays are a promising platform for quantum computing, quantum simulation, and quantum metrology, but atom transport using frequency-chirped acousto-opt…

cond-mat.soft2025

Chirality transfer in lyotropic twist-bend nematics

Anna Ashkinazi, Hemani Chhabra, Anouar El Moumane +2

Using molecular simulations and classical density functional theory, we study the liquid-crystalline phase behaviour of a series of bent rod-like mesogens with a controlled degree…

q-bio.QM2025★ 2 cited

Reconstructing Noisy Gene Regulation Dynamics Using Extrinsic-Noise-Driven Neural Stochastic Differential Equations

Jiancheng Zhang, Xiangting Li, Xiaolu Guo +6

Proper regulation of cell signaling and gene expression is crucial for maintaining cellular function, development, and adaptation to environmental changes. Reaction dynamics in cel…