ERD

Optical suppression of energy barriers in single molecule-metal binding

Project: BioNet

Updated at: 31-07-2024

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Project acronym BioNet

In-Situ Spectro-Electrochemistry of Conductive Polymers Using Plasmonics to Reveal Doping Mechanisms

Project: BioNet

Updated at: 31-07-2024

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Project acronym BioNet

Variational kinetic clustering of complex networks

Project: BioNet

Updated at: 31-07-2024

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Project acronym BioNet

Mechanism-Based Redesign of GAP to Activate Oncogenic Ras

Project: BioNet

Updated at: 31-07-2024

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Project acronym BioNet

Resolving sub-angstrom ambient motion through reconstruction from vibrational spectra

Project: BioNet

Updated at: 31-07-2024

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Project acronym BioNet

Molecular Vibration Explorer: an Online Database and Toolbox for Surface-Enhanced Frequency Conversion and Infrared and ...

Project: BioNet

Updated at: 31-07-2024

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Project acronym BioNet

Investigating the Unbinding of Muscarinic Antagonists from the Muscarinic 3 Receptor

Project: BioNet

Updated at: 31-07-2024

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Project acronym BioNet

Combining data integration and molecular dynamics for target identification in α-Synuclein-aggregating neurodegenerativ...

Project: BioNet

Updated at: 27-04-2024

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Project acronym BioNet

Structural basis of second-generation HIV integrase inhibitor action and viral resistance

Project: BioNet

Updated at: 27-04-2024

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Project acronym BioNet

Dissecting RAF Inhibitor Resistance by Structure-based Modeling Reveals Ways to Overcome Oncogenic RAS Signaling

Project: BioNet

Updated at: 27-04-2024

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Project acronym BioNet

Modular supramolecular dimerization of optically tunable extended aryl viologens

Project: BioNet

Updated at: 27-04-2024

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Project acronym BioNet

Representation of the QM Subsystem for Long-Range Electrostatic Interaction in Non-Periodic Ab Initio QM/MM Calculations

Project: BioNet

Updated at: 27-04-2024

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Project acronym BioNet

Mean first passage times in variational coarse graining using Markov state models

Project: BioNet

Updated at: 27-04-2024

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Project acronym BioNet

A simplified charge projection scheme for long-range electrostatics in ab initio QM/MM calculations.

Project: BioNet

Updated at: 27-04-2024

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Project acronym BioNet

Breaking the selection rules of spin-forbidden molecular absorption in plasmonic nanocavities

Project: BioNet

Updated at: 27-04-2024

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Project acronym BioNet

Periodic Reporting for period 3 - BioNet (Dynamical Redesign of Biomolecular Networks)

Project: BioNet

Updated at: 27-04-2024

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Project acronym BioNet

Organocatalytic Access to a cis -Cyclopentyl-γ-amino Acid: An Intriguing Model of Selectivity and Formation of a Stable...

Project: BioNet

Updated at: 27-04-2024

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Project acronym BioNet

Joint neutron/X-ray crystal structure of a mechanistically relevant complex of perdeuterated urate oxidase and simulatio...

Project: BioNet

Updated at: 27-04-2024

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Project acronym BioNet

Cucurbit[7]uril as a Supramolecular Artificial Enzyme for Diels-Alder Reactions

Project: BioNet

Updated at: 27-04-2024

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Project acronym BioNet

Molecular simulations unravel the molecular principles that mediate selective permeability of carboxysome shell protein

Project: BioNet

Updated at: 27-04-2024

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Project acronym BioNet

Combined free energy calculation and machine learning methods for understanding ligand unbinding kinetics

Project: BioNet

Updated at: 27-04-2024

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Project acronym BioNet

Molecular Screening for Terahertz Detection with Machine-Learning-Based Methods

Project: BioNet

Updated at: 27-04-2024

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Project acronym BioNet

Position-Dependent Diffusion from Biased Simulations and Markov State Model Analysis.

Project: BioNet

Updated at: 27-04-2024

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Project acronym BioNet

Efficient Irreversible Monte Carlo Samplers

Project: BioNet

Updated at: 27-04-2024

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Project acronym BioNet

Structural Dynamics and Catalytic Mechanism of ATP13A2 (PARK9) from Simulations.

Project: BioNet

Updated at: 27-04-2024

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Project acronym BioNet

Correlation functions, mean first passage times, and the Kemeny constant

Project: BioNet

Updated at: 27-04-2024

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Project acronym BioNet

Detecting mid-infrared light by molecular frequency upconversion in dual-wavelength nanoantennas

Project: BioNet

Updated at: 27-04-2024

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Project acronym BioNet

Host–Guest Chemistry Meets Electrocatalysis: Cucurbit[6]uril on a Au Surface as a Hybrid System in CO 2 Reduction

Project: BioNet

Updated at: 27-04-2024

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Project acronym BioNet

Modelling the active SARS-CoV-2 helicase complex as a basis for structure-based inhibitor design.

Project: BioNet

Updated at: 27-04-2024

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Project acronym BioNet

Cations in motion: QM/MM studies of the dynamic and electrostatic roles of H+ and Mg2+ ions in enzyme reactions

Project: BioNet

Updated at: 27-04-2024

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Project acronym BioNet

Resources

Selected filters:

Optical suppression of energy barriers in single molecule-metal binding

In-Situ Spectro-Electrochemistry of Conductive Polymers Using Plasmonics to Reveal Doping Mechanisms

Variational kinetic clustering of complex networks

Mechanism-Based Redesign of GAP to Activate Oncogenic Ras

Resolving sub-angstrom ambient motion through reconstruction from vibrational spectra

Molecular Vibration Explorer: an Online Database and Toolbox for Surface-Enhanced Frequency Conversion and Infrared and ...

Investigating the Unbinding of Muscarinic Antagonists from the Muscarinic 3 Receptor

Combining data integration and molecular dynamics for target identification in α-Synuclein-aggregating neurodegenerativ...

Structural basis of second-generation HIV integrase inhibitor action and viral resistance

Dissecting RAF Inhibitor Resistance by Structure-based Modeling Reveals Ways to Overcome Oncogenic RAS Signaling

Modular supramolecular dimerization of optically tunable extended aryl viologens

Representation of the QM Subsystem for Long-Range Electrostatic Interaction in Non-Periodic Ab Initio QM/MM Calculations

Mean first passage times in variational coarse graining using Markov state models

A simplified charge projection scheme for long-range electrostatics in ab initio QM/MM calculations.

Breaking the selection rules of spin-forbidden molecular absorption in plasmonic nanocavities

Periodic Reporting for period 3 - BioNet (Dynamical Redesign of Biomolecular Networks)

Organocatalytic Access to a cis -Cyclopentyl-γ-amino Acid: An Intriguing Model of Selectivity and Formation of a Stable...

Joint neutron/X-ray crystal structure of a mechanistically relevant complex of perdeuterated urate oxidase and simulatio...

Cucurbit[7]uril as a Supramolecular Artificial Enzyme for Diels-Alder Reactions

Molecular simulations unravel the molecular principles that mediate selective permeability of carboxysome shell protein

Combined free energy calculation and machine learning methods for understanding ligand unbinding kinetics

Molecular Screening for Terahertz Detection with Machine-Learning-Based Methods

Position-Dependent Diffusion from Biased Simulations and Markov State Model Analysis.

Efficient Irreversible Monte Carlo Samplers

Structural Dynamics and Catalytic Mechanism of ATP13A2 (PARK9) from Simulations.

Correlation functions, mean first passage times, and the Kemeny constant

Detecting mid-infrared light by molecular frequency upconversion in dual-wavelength nanoantennas

Host–Guest Chemistry Meets Electrocatalysis: Cucurbit[6]uril on a Au Surface as a Hybrid System in CO 2 Reduction

Modelling the active SARS-CoV-2 helicase complex as a basis for structure-based inhibitor design.

Cations in motion: QM/MM studies of the dynamic and electrostatic roles of H+ and Mg2+ ions in enzyme reactions