To students contemplating research in biomolecular modelling

Journal of global optimization : an international journal dealing with theoretical and computational aspects of seeking global optima and their applications in science, management and engineering·2026

Multi-GPU MBE(3)-OSV-MP2 for Performant Large-Scale <i>Ab Initio</i> Calculations.

Journal of chemical theory and computation·2026

A new single-sagittal-plane deep learning approach for continuous bladder volume monitoring: a feasibility study.

Ultrasonography (Seoul, Korea)·2026

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To students contemplating research in biomolecular modelling

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Dynamic Behavior of Trigger Factor on the Ribosome.

How Quantum Coherence Assists Photosynthetic Light Harvesting.

Squeezing protein shells: how continuum elastic models, molecular dynamics simulations, and experiments coalesce at the nanoscale.

Evidence for a 13,14-cis cycle in bacteriorhodopsin.

Substituents at the c(13) position of retinal and their influence on the function of bacteriorhodopsin.

The effect of protonation and electrical interactions on the stereochemistry of retinal schiff bases.

In silico investigations of inhibition capabilities of selective estrogen receptor modulators against estrogen receptor - α (ER-α) in breast cancer.

Thermal titration molecular dynamics (TTMD) reveals the temperature-dependent structural stability of major royal jelly protein 1.

Understanding the interaction and binding affinity of IL-2 with the receptors IL-2Rα, IL-2Rβ and IL-2Rγc controls the signal transduction.

Discovery of potential TMPRSS2 inhibitors using integrated computational and experimental screening.

Toward safer bisphenols remediation: Range-Corrected DFT study of zero-valent metal-mediated bisphenols reduction.

Artificial intelligence-assisted QSAR modeling of phenolic monoterpenes targeting Helicobacter pylori.

A Monte Carlo simulation based on first-passage distributions for spatio-temporal detection on potentiometric sensor arrays.

Hybrid variational quantum-classical data assimilation for numerical weather prediction using Lorenz system benchmarks.

Neural Representation Learning for Compact and Efficient Modeling of Monte Carlo Phase Space Data.

Constrained consensus-based optimization and numerical heuristics for the few particle regime.

Multi-GPU MBE(3)-OSV-MP2 for Performant Large-Scale <i>Ab Initio</i> Calculations.

A new single-sagittal-plane deep learning approach for continuous bladder volume monitoring: a feasibility study.

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To students contemplating research in biomolecular modelling

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