Brownian dynamics simulations of enzyme-substrate encounter

On the determinants of electron transfer reorganization energy in a cytochrome P450: cytochrome b5 complex. A combined quantum mechanics and molecular dynamics simulation study.

The Journal of chemical physics·2025

Graphene BioFET sensors for SARS-CoV-2 detection: a multiscale simulation approach.

Nanoscale advances·2022

Pulmonary Arterial Pruning and Longitudinal Change in Percent Emphysema and Lung Function: The Genetic Epidemiology of COPD Study.

Chest·2021

Protein conformational flexibility modulates kinetics and thermodynamics of drug binding.

Nature communications·2017

Three steps to gold: mechanism of protein adsorption revealed by Brownian and molecular dynamics simulations.

Physical chemistry chemical physics : PCCP·2016

Molecular simulations reveal that the long range fluctuations of human DPP III change upon ligand binding.

Molecular bioSystems·2015

Deciphering influenza B virus-derived peptides and their presentation by HLA class I molecules.

Biochemical Society transactions·2026

Evolution of self-reactive B cells: lessons from a lupus model.

Biochemical Society transactions·2026

Role of post-translational modifications in modulating histone reactivity in the extracellular environment.

Biochemical Society transactions·2026

Myoferlin at the crossroad of vesicle trafficking and mitochondrial function: implications for pancreatic cancer progression and stromal reprogramming.

Biochemical Society transactions·2026

Understanding adipocyte heterogeneity across species, depot, and disease.

Biochemical Society transactions·2026

Bottom-up reconstitution of model membrane systems: a mini-review.

Biochemical Society transactions·2026

Enzyme-Activatable Fluorogenic Probes: Design Strategies, Biomedical Applications, and Future Perspectives.

Journal of the American Chemical Society·2026

Functional characterization of 3β-hydroxysteroid dehydrogenases in Asiatic toad reveals an efficient broad substrate specificity of Bg-3βHSD2.

Bioscience reports·2026

Bromelain-based enzymatic debridement versus standard of care in deep partial- and full-thickness burns: A systematic review and meta-analysis of randomized controlled trials.

Burns : journal of the International Society for Burn Injuries·2026

Carbonic anhydrases I and II.

The Enzymes·2026

Protocol for isolation of primary hepatic lymphatic endothelial cells from rat liver.

STAR protocols·2026

Probing the Human 4-Oxo-l-proline Reductase-Catalyzed Reaction by Deuterium Kinetic and Equilibrium Isotope Effects.

Biochemistry·2026

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Brownian dynamics simulations of enzyme-substrate encounter

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On the determinants of electron transfer reorganization energy in a cytochrome P450: cytochrome b5 complex. A combined quantum mechanics and molecular dynamics simulation study.

Graphene BioFET sensors for SARS-CoV-2 detection: a multiscale simulation approach.

Pulmonary Arterial Pruning and Longitudinal Change in Percent Emphysema and Lung Function: The Genetic Epidemiology of COPD Study.

Protein conformational flexibility modulates kinetics and thermodynamics of drug binding.

Three steps to gold: mechanism of protein adsorption revealed by Brownian and molecular dynamics simulations.

Molecular simulations reveal that the long range fluctuations of human DPP III change upon ligand binding.

Deciphering influenza B virus-derived peptides and their presentation by HLA class I molecules.

Evolution of self-reactive B cells: lessons from a lupus model.

Role of post-translational modifications in modulating histone reactivity in the extracellular environment.

Myoferlin at the crossroad of vesicle trafficking and mitochondrial function: implications for pancreatic cancer progression and stromal reprogramming.

Understanding adipocyte heterogeneity across species, depot, and disease.

Bottom-up reconstitution of model membrane systems: a mini-review.

Enzyme-Activatable Fluorogenic Probes: Design Strategies, Biomedical Applications, and Future Perspectives.

Functional characterization of 3β-hydroxysteroid dehydrogenases in Asiatic toad reveals an efficient broad substrate specificity of Bg-3βHSD2.

Bromelain-based enzymatic debridement versus standard of care in deep partial- and full-thickness burns: A systematic review and meta-analysis of randomized controlled trials.

Carbonic anhydrases I and II.

Protocol for isolation of primary hepatic lymphatic endothelial cells from rat liver.

Probing the Human 4-Oxo-l-proline Reductase-Catalyzed Reaction by Deuterium Kinetic and Equilibrium Isotope Effects.

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Brownian dynamics simulations of enzyme-substrate encounter

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