Key papers

• Mechanistic Modeling of Lipid Nanoparticle (LNP) Precipitation via Population Balance Equations (PBEs) (2025)
  Sunkyu Shin et al.
  7.55
• Water-Guided Docking Improves Prediction of Protein-Glycan Complexes. (2026)
  J. O. Lannot et al.
  5.52
• WeTICA: A directed search weighted ensemble based enhanced sampling method to estimate rare event kinetics in a reduced dimensional space (2025)
  Sudipta Mitra et al.
  5.48
• Structure-Based Experimental Datasets for Benchmarking Protein Simulation Force Fields (2023)
  Chapin E. Cavender et al.
  4.48
• Deterministic cascade coarsening in a Bistable Gene Toggle model (2026)
  Priyanka D. Bhoyar et al.
  4.39
• Energy Conversion, Fluctuation Suppression, and Information Transfer in the Thermodynamic Performance of Kinesin (2026)
  Riku Kato et al.
  4.39
• VertAX: a differentiable vertex model for learning epithelial tissue mechanics (2026)
  Alessandro Pasqui et al.
  4.09
• Efficient quantum transport in disordered Floquet networks (2026)
  Hl\'er Kristj\'ansson et al.
  3.51
• Mechanistic Modeling of Lipid Nanoparticle Formation for the Delivery of Nucleic Acid Therapeutics (2024)
  Pavan K. Inguva et al.
  3.31
• An electrical molecular motor driven by angular momentum transfer (2025)
  Julian Skolaut et al.
  2.71
• QuantumDNA: A Python Package for Analyzing Quantum Charge Dynamics in DNA and Exploring Its Biological Relevance (2025)
  Dennis Herb et al.
  2.65
• Partial Orientation Retrieval of Proteins From Coulomb Explosions (2024)
  Tomas Andr\'e et al.
  2.49
• A universal multi-turnpike principle for optimal allocation of translational resources (2026)
  Ram Massas et al.
  2.00
• Variational kinetics: elementary reaction kinetics via conic optimisation (2026)
  Ronan M. T. Fleming et al.
  2.00
• On the Cost of Entrainment in Protein Translation (2026)
  Ram Massas et al.
  2.00
• Environmental and cell-cell signaling shape developmental trajectories across morphogenetic landscapes (2026)
  J. Hareesh et al.
  2.00
• Bayesian-Steered Structure Prediction of Mechanical Biomolecules Using Twisted Diffusion (2026)
  Colin Klaus et al.
  1.94
• A Quantum Framework for Protein Binding‐Site Structure Prediction on Utility‐Level Quantum Processors (Adv. Sci. 12/2026) (2026)
  Yuqi Zhang et al.
  1.94
• From Atoms to Cells: AI-Based Structure Prediction Fueling Molecular Dynamics Simulations in Computational Structural Biology. (2026)
  Rafael C. Bernardi et al.
  1.94
• Stoic: Fast and accurate protein stoichiometry prediction (2026)
  Daniil Litvinov et al.
  1.94
• Tuning Colloidal Reactions (2023)
  Ryan Krueger et al.
  1.93
• Amplification at Equilibrium: Structural and Thermodynamic Limitations, and Implementation (2026)
  Hamidreza Akef et al.
  1.83
• A Frenet frame analysis of protein geometry: hints for secondary structure assignments (2025)
  M. Prados et al.
  1.61
• AI-driven Large-scale Electron Microscopy enables Whole-tissue Subcellular Digitization (2025)
  Li Xiao et al.
  1.56
• Illuminating Protein Dynamics: A Review of Computational Methods for Studying Photoactive Proteins (2025)
  Sylwia Czach and Jakub Rydzewski and Wies{\l}aw Nowak
  1.11
• MDRefine: a Python package for refining Molecular Dynamics trajectories with experimental data (2024)
  Ivan Gilardoni et al.
  0.94
• The allosteric lever: towards a principle of specific allosteric response (2023)
  Maximilian Vossel et al.
  0.28
• The central dogma of biological homochirality: How does chiral information propagate in a prebiotic network? (2023)
  S. Furkan Ozturk et al.
  0.00
• Quantum Biochemical Analysis of the TtgR Regulator and Effectors (2022)
  E.G.C. Matias and K. S. Bezerra and A.H. Lima Costa and W. S. Clemente and J. I. N. Oliveira and L. A. Ribeiro Junior and D. S. Galvao and U. L. Fulco
  —
• The Biological Qubit: Calcium Phosphate Dimers, not Trimers (2022)
  Shivang Agarwal et al.
  —
• Deep Learning Collective Variables from Transition Path Ensemble (2023)
  Dhiman Ray et al.
  —
• Digital staining in optical microscopy using deep learning -- a review (2023)
  Lucas Kreiss et al.
  —
• Molecular Dynamics Simulation of Apolipoprotein E3 Lipid Nanodiscs (2023)
  Patrick Allen et al.
  —
• $\Gamma$-VAE: Curvature regularized variational autoencoders for uncovering emergent low dimensional geometric structure in high dimensional data (2024)
  Jason Z. Kim et al.
  —
• Machine learning from limited data: Predicting biological dynamics under a time-varying external input (2024)
  Hoony Kang et al.
  —
• Inference of non-exponential kinetics through stochastic resetting (2024)
  Ofir Blumer et al.
  —
• Characterizing RNA oligomers using Stochastic Titration Constant-pH Metadynamics simulations (2024)
  Tomas F.D. Silva and Giovanni Bussi
  —
• Deterministic Path Search Algorithm on Free-Energy Landscape using Random Grids (2024)
  Tetsuro Nagai and Koji Yoshida
  —