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The use of drug combinations often leads to polypharmacy side effects (POSE). A recent method formulates POSE prediction as a link prediction problem on a graph of drugs and proteins, and solves it with Graph Convolutional Networks (GCNs).…

Machine Learning · Computer Science 2020-01-29 Hao Xu , Shengqi Sang , Haiping Lu

The lateral diffusion and trapping of protein receptors within the postsynaptic membrane of a neuron plays a key role in determining the strength of synaptic connections and their regulation during learning and memory. In this paper we…

Statistical Mechanics · Physics 2023-07-19 Paul C Bressloff

Mismatch repair is a critical step in DNA replication that occurs after base selection and proofreading, significantly increasing fidelity. However, the mechanism of mismatch recognition has not been established for any repair enzyme.…

Biological Physics · Physics 2024-04-09 Nianqin Zhang , Yongjun Zhang

Cellular decision-making under stress involves rapid pathway selection despite energy scarcity. Here we demonstrate that thermodynamic constraints actively drive energy-efficient sporulation, where continuous metabolic sources enable system…

Molecular Networks · Quantitative Biology 2026-01-09 Eugenio Simao

Gradient-based first-order adaptive optimization methods such as the Adam optimizer are prevalent in training artificial networks, achieving the state-of-the-art results. This work attempts to answer the question whether it is viable for…

Neural and Evolutionary Computing · Computer Science 2022-12-20 Yukun Yang , Peng Li

Catastrophic forgetting/interference is a critical problem for lifelong learning machines, which impedes the agents from maintaining their previously learned knowledge while learning new tasks. Neural networks, in particular, suffer plenty…

Neural and Evolutionary Computing · Computer Science 2019-03-15 Soheil Kolouri , Nicholas Ketz , Xinyun Zou , Jeffrey Krichmar , Praveen Pilly

Ribosome-targeting antibiotics, such as chloramphenicol, stall elongating ribosomes during protein synthesis, disrupting mRNA translation. These antibiotic-induced pauses occur stochastically, alter collective ribosome dynamics and…

Subcellular Processes · Quantitative Biology 2025-07-28 Johannes Keisers , Norbert Kern , Luca Ciandrini

Biological neurons have adaptive nature and perform complex computations involving the filtering of redundant information. However, most common neural cell models, including biologically plausible, such as Hodgkin-Huxley or Izhikevich, do…

Neurons and Cognition · Quantitative Biology 2021-06-22 Oleg Nikitin , Olga Lukyanova , Alex Kunin

The tunable mechanical response of knitted fabrics underpins applications ranging from soft robotics and artificial muscles to morphing electromagnetic field sensors. Elasticity in fabrics emerges from the bending of yarn in the knitted…

The Schlegel-Frisch ab initio molecular dynamics (ADMP) (DFT:B3LYP), T = 310 K, is used to study complexation between adenosinetriphosphate (ATP), ATP subsystem, and magnesium cofactor [Mg(H2O)6]2+, Mg subsystem, in a water pool, modeled…

Biological Physics · Physics 2009-07-16 Alexander A Tulub

Modulation of the properties of AMPA receptors at the post-synaptic membrane is one of the main suggested mechanisms behind synaptic plasticity in the central nervous system of vertebrates. Electrophysiological recordings of single channels…

Molecular Networks · Quantitative Biology 2015-06-22 Ranjita Dutta Roy , Christian Rosenmund , Stuart J Edelstein , Nicolas Le Novère

Collective sensing by interacting cells is observed in a variety of biological systems, and yet a quantitative understanding of how sensory information is collectively encoded is lacking. Here we investigate the ATP-induced calcium dynamics…

Cell Behavior · Quantitative Biology 2017-09-20 Garrett D Potter , Tommy A Byrd , Andrew Mugler , Bo Sun

Allostery is an intrinsic spatiotemporal property of all proteins, resulting from long range correlations in the order of several nanometers and time scales of nanoseconds. Information is carried asymmetrically from one part to another by…

Biomolecules · Quantitative Biology 2017-08-17 Aysima Hacisuleyman , Burak Erman

This paper shows that the heterogeneity in neuronal and synaptic dynamics reduces the spiking activity of a Recurrent Spiking Neural Network (RSNN) while improving prediction performance, enabling spike-efficient (unsupervised) learning. We…

Artificial Intelligence · Computer Science 2023-08-08 Biswadeep Chakraborty , Saibal Mukhopadhyay

Recent experiments showed that multiple copies of the molecular machine RNA polymerase (RNAP) can efficiently synthesize mRNA collectively in the active state of the promoter. However, environmentally-induced promoter repression results in…

Subcellular Processes · Quantitative Biology 2021-12-01 Purba Chatterjee , Nigel Goldenfeld , Sangjin Kim

Learning, especially rapid learning, is critical for survival. However, learning is hard: a large number of synaptic weights must be set based on noisy, often ambiguous, sensory information. In such a high-noise regime, keeping track of…

Neurons and Cognition · Quantitative Biology 2021-03-22 Laurence Aitchison , Jannes Jegminat , Jorge Aurelio Menendez , Jean-Pascal Pfister , Alex Pouget , Peter E. Latham

ATPases cyclically convert chemical energy in the form of ATP gradients into directed motion inside cells. To function, ATPases rely on allosteric communication between at least two binding sites, an internal signaling mechanism that is not…

Molecular Networks · Quantitative Biology 2025-12-22 Tosan Omabegho

Incubation with noradrenaline (norepinephrine) of isolated membranes of rat's brain corpus striatum and cortex, showed that ionic-magnesium (Mg2+) is required for the neurotransmitter activatory response of Adenylate Cyclase [ATP…

Other Quantitative Biology · Quantitative Biology 2010-12-16 Alfred Bennun

Stochastic network-dynamics are typically assumed to be memory-less. Involving prolonged dwells interrupted by instantaneous transitions between nodes such Markov networks stand as a coarse-graining paradigm for chemical reactions, gene…

Statistical Mechanics · Physics 2021-12-15 David Hartich , Aljaž Godec

A jump-diffusion process is proposed to describe the displacements performed by single myosin heads along actin filaments during the rising phases. The process consists of the superposition of a Wiener and a jump process, with jumps…

Soft Condensed Matter · Physics 2007-05-23 A. Buonocore , A. Di Crescenzo , B. Martinucci , L. M. Ricciardi