Stable ß-Turns of Tripeptides in Water through Cation-π Interactions

Chattez avec Graph Search

Posez n’importe quelle question sur les cours, conférences, exercices, recherches, actualités, etc. de l’EPFL ou essayez les exemples de questions ci-dessous.

AVERTISSEMENT : Le chatbot Graph n'est pas programmé pour fournir des réponses explicites ou catégoriques à vos questions. Il transforme plutôt vos questions en demandes API qui sont distribuées aux différents services informatiques officiellement administrés par l'EPFL. Son but est uniquement de collecter et de recommander des références pertinentes à des contenus que vous pouvez explorer pour vous aider à répondre à vos questions.

The combination of palladium salts and bipyridyl ligands can lead to the formation of a large variety of coordination complexes, with different shapes and sizes, displaying a very versatile host-guest chemistry. Increasing their structural complexity remai ...

Supramolecular interactions play an important role in defining the structure and the resulting mechanical properties of materials. For instance, interchain hydrogen-bonding in PAs gives them superior strength and stiffness in engineering materials, while t ...

The Spindle Assembly Abnormal Protein 6 (SAS-6) forms dimers, which then self-assemble into rings that are critical for the nine-fold symmetry of the centriole organelle. It has recently been shown experimentally that the self-assembly of SAS-6 rings is st ...

Second-order Moller-Plesset perturbation theory (MP2) is the most expedient wave function-based method for considering electron correlation in quantum chemical calculations and, as such, provides a cost-effective framework to assess the effects of basis se ...

Solving native structures of such large molecules, like biomolecules, is often challenging, particularly due to the potentially infinite number of non-covalent interactions with water. In this thesis, we report the use of cold ion gas-phase action spectros ...

The modeling of non-covalent interactions, solvation effects, and chemical reactions in complex molecular environment is a challenging task. Current state-of-the-art approaches often rely on static computations using implicit solvent models and harmonic ap ...

Hybrid halide perovskites are currently one of the most studied semiconductors. However, due to poor intrinsic and extrinsic stability, further developments to commercialize devices based on hybrid halide perovskites are limited. Many different strategies ...

Non-covalent interactions are ubiquitous in nature. The diversity and functionality of these interactions are employed by nature as a universal tool for building the molecular mechanism of life. Although weak, these interactions play a key role in both for ...

The absorption, conversion and transport of electronic energy in molecular aggregates is at the heart of many important natural and artificial photochemical systems, including organic solar cell materials, photosynthetic light-harvesting complexes and DNA ...

At the outermost surface of colloidal QDs are organic surface ligands which dynamically bind and release in solution to control the growth kinetics, control the size/shape of the crystals, passivate surface states, and provide colloidal stability through f ...

A promising approach to influence and control the photophysical properties of conjugated polymers is directing their molecular conformation by templating. We explore here the templating effect of single-stranded DNA oligomers (ssDNAs) on cationic polythiop ...

A central paradigm of self-assembly is to create ordered structures starting from molecular monomers that spontaneously recognize and interact with each other via noncovalent interactions. In recent years, great efforts have been directed toward perfecting ...

Fabrication of bench-stable radical ions under ambient conditions is of utmost significance from the perspective of materials and structural (solid-state) chemistry. Two exceptionally stable benzotriazinyl radical cationic salts of 1-phenyl-3(phenylamino)- ...

We report a case of an uveal melanoma patient with GNAQ p.Gly48Leu who responded to MEK inhibition. At the time of the molecular analysis, the pathogenicity of the mutation was unknown. A tridimensional structural analysis showed that G alpha(q) can adopt ...

The field of quantum chemistry has recently undergone a series of paradigm shifts, including a boom in machine learning applications that target the electronic structure problem. Along with these technological innovations, the community continues to identi ...

The study of organic molecular crystals under high pressure provides fundamental insight into crystal packing distortions and reveals mechanisms of phase transitions and the crystallization of polymorphs. These solid-state transformations can be monitored ...

Artificial molecular machines (AMMs) built from mechanically interlocked molecules (MIMs) can use energy ratchets to control the unidirectional motion of their component parts. These energy ratchets are operated by the alteration of kinetic barriers and th ...

The inception of push-pull organic dyes utilizing the donor-pi conjugated bridge-acceptor (D-pi-A) motif has created a paradigm shift in the design of efficient nanocrystalline dye-sensitized solar cells (DSSCs), offering control over aesthetic and perform ...

The fluorescent analogue 2-aminopurine (2AP) of the canonical nucleobase adenine (6-aminopurine) base-pairs with thymine (T) without disrupting the helical structure of DNA. It therefore finds frequent use in molecular biology for probing DNA and RNA struc ...

Molecular electronics covers several distinctly different conducting architectures, including organic semiconductors and single-molecule junctions. The noncovalent interactions, abundant in the former, are also often found in the latter, i.e., the dimer ju ...

Stable ß-Turns of Tripeptides in Water through Cation-π Interactions

Chattez avec Graph Search

Palladium-based supramolecular assemblies: from complex structures to water-soluble anion-receptors

Supramolecular Modifications of Semicrystalline Polymers

Grand canonical Brownian dynamics simulations of adsorption and self-assembly of SAS-6 rings on a surface

Plane Waves Versus Correlation-Consistent Basis Sets: A Comparison of MP2 Non-Covalent Interaction Energies in the Complete Basis Set Limit

Bridging Native and Intrinsic Structures of Microhydrated Biomolecules by Cold Ion Spectroscopy

Modeling non-covalent interactions in condensed phase

Structure-property relationships and mixed conductivity in layered hybrid perovskites based on phenyl-derived spacers

Structural and analytical identifications of biomolecules by cold ion spectroscopy of non-covalent complexes

Electronic and structural dynamics in DNA single strands

Ligand Locking on Quantum Dot Surfaces via a Mild Reactive Surface Treatment

Structural and Photophysical Templating of Conjugated Polyelectrolytes with Single-Stranded DNA

Identifying and Tracking Defects in Dynamic Supramolecular Polymers

Reversible Magnetic Transition in a Bench-Stable Radical Cation Triggered by Structural Transition in the Magnetically Silent Counteranion

Trametinib Induces the Stabilization of a Dual GNAQ p.Gly48Leu-and FGFR4 p.Cys172Gly-Mutated Uveal Melanoma. The Role of Molecular Modelling in Personalized Oncology

Deterministic and Statistical Approaches to Quantum Chemistry

DORI Reveals the Influence of Noncovalent Interactions on Covalent Bonding Patterns in Molecular Crystals Under Pressure

A Molecular Dual Pump

Photoinduced Charge Transfer Dynamics in Blue-Coloured Diketopyrrolopyrrole (DPP) Dye-Sensitized Solar Cells

Electronic Relaxation Dynamics of UV-Photoexcited 2-Aminopurine-Thymine Base Pairs in Watson-Crick and Hoogsteen Conformations

Noncovalent Molecular Electronics