Dipam Manish Patel,Georg Kastlunger
Dipam Manish Patel
Electrocatalysis is one of the principal pathways for the transition to sustainable chemistry, promising greater energy efficiency and reduced emissions. As the field has grown, our theoretical understanding has matured. The influence of th...
Stephen W Fesik
Stephen W Fesik
There are many highly validated cancer targets that are difficult or impossible to drug due to the absence of suitable pockets that can bind small molecules. Fragment-based methods have been shown to be a useful approach for identifying lig...
Connecting the Dots: Sintering of Liquid Metal Particles for Soft and Stretchable Conductors [0.03%]
点石成金：液态金属颗粒烧结用于制作柔软可拉伸导体
Simok Lee,Syed Ahmed Jaseem,Nurit Atar et al.
Simok Lee et al.
This review focuses on the sintering of liquid metal particles (LMPs). Here, sintering means the partial merging or connecting of particles (or droplets) to form a network of percolated and, thus, conductive electrical pathways. LMPs are at...
Design Approaches That Utilize Ionic Interactions to Control Selectivity in Transition Metal Catalysis [0.03%]
利用离子相互作用来控制过渡金属催化中的选择性的设计方法
Hannah K Adams,Max Kadarauch,Nicholas J Hodson et al.
Hannah K Adams et al.
The attractive force between two oppositely charged ions can constitute a powerful design tool in selective catalysis. Enzymes make extensive use of ionic interactions alongside a variety of other noncovalent interactions; recent years have...
Nediljko Budisa
Nediljko Budisa
Principles and Design of Molecular Tools for Sensing and Perturbing Cell Surface Receptor Activity [0.03%]
用于检测和扰动细胞表面受体活性的分子工具的原则与设计
Jennifer Sescil,Steven M Havens,Wenjing Wang
Jennifer Sescil
Cell-surface receptors are vital for controlling numerous cellular processes with their dysregulation being linked to disease states. Therefore, it is necessary to develop tools to study receptors and the signaling pathways they control. Th...
Mark E Eberhart,Anastassia N Alexandrova,Pujan Ajmera et al.
Mark E Eberhart et al.
Electric fields generated by protein scaffolds are crucial in enzymatic catalysis. This review surveys theoretical approaches for detecting, analyzing, and comparing electric fields, electrostatic potentials, and their effects on the charge...
Min-Jun Sung,Kwan-Nyeong Kim,Chunghee Kim et al.
Min-Jun Sung et al.
Neuromorphic electronics are inspired by the human brain's compact, energy-efficient nature and its parallel-processing capabilities. Beyond the brain, the entire human nervous system, with its hierarchical structure, efficiently preprocess...
Dennis A Dougherty
Dennis A Dougherty
The cation-π interaction is an important noncovalent binding force that impacts all areas of chemistry and biology. Extensive computational and gas phase experimental studies have established the potential strength and the essential nature...
Theory and Modeling of Transport for Simple Fluids in Nanoporous Materials: From Microscopic to Coarse-Grained Descriptions [0.03%]
简单流体在纳米多孔材料中传输理论与模拟——从微观到粗粒化的描述
Alexander Schlaich,Jean-Louis Barrat,Benoit Coasne
Alexander Schlaich
We present the state-of-the-art of theoretical modeling, molecular simulation, and coarse-graining strategies for the transport of gases and liquids in nanoporous materials (pore size 1-100 nm). Special emphasis is placed on the transport o...