Quantification of noncovalent interactions – promises and problems

2019 ◽  
Vol 43 (39) ◽  
pp. 15498-15512 ◽  
Author(s):  
Hans-Jörg Schneider

Quantification of noncovalent interactions is the key for the understanding of binding mechanisms, of biological systems, for the design of drugs, their delivery and for the design of receptors for separations, sensors, actuators, or smart materials.

2018 ◽  
Vol 30 (19) ◽  
pp. 1704847 ◽  
Author(s):  
Peter Q. Nguyen ◽  
Noémie-Manuelle Dorval Courchesne ◽  
Anna Duraj-Thatte ◽  
Pichet Praveschotinunt ◽  
Neel S. Joshi

2013 ◽  
Vol 332 ◽  
pp. 471-484 ◽  
Author(s):  
Gheorghe Ion Gheorghe ◽  
Vasile Bratu ◽  
Octavian G. Donţu

The newly invented word << ADAPTRONICS >> describes essentially technical and technological fields internationally known as intelligent systems, smart structures and smart materials, smart processes, describes how easy is it to build adaptive systems and structures, with the objective of reduction of material, technological and energy for implementation and operation to an absolute minimum, describes different scenarios for such applications focused on trying to simulate "vital functions", and the ability of biological systems to recognize and automatically correct the dysfunctions of their their structure, characteristic desired in technical systems and structures, particularly in areas where safety is essential (eg aircraft, civil structures, etc.), describes "scientific pillars" of the disciplines involved and important components of future structures and systems etc.


2021 ◽  
Vol 7 ◽  
Author(s):  
Yuejiao Xian ◽  
Yixin Xie ◽  
Sebastian Miki Silva ◽  
Chitra B. Karki ◽  
Weihong Qiu ◽  
...  

Studying biomolecular interactions is a crucial but challenging task. Due to their large scales, many biomolecular interactions are difficult to be simulated via all atom models. An effective approach to investigate the biomolecular interactions is highly demanded in many areas. Here we introduce a Structure Manipulation (StructureMan) program to operate the structures when studying the large-scale biomolecular interactions. This novel StructureMan tool provides comprehensive operations which can be utilized to study the interactions in various large biological systems. Combining with electrostatic calculation programs such as DelPhi and DelPhiForce, StructureMan was implemented to reveal the detailed electrostatic features in two large biological examples, the viral capsid and molecular motor-microtubule complexes. Applications on these two examples revealed interesting binding mechanisms in the viral capsid and molecular motor. Such applications demonstrated that the StructureMan can be widely used when studying the biomolecular interactions in large scale biological problems. This novel tool provides an alternative approach to efficiently study the biomolecular interactions, especially for large scale biology systems. The StructureMan tool is available at our website: http://compbio.utep.edu/static/downloads/script-for-munipulation2.zip.


Author(s):  
Emily A. Allen ◽  
Lee D. Taylor ◽  
John P. Swensen

This paper presents an initial step towards a new class of soft robotics materials, where localized, geometric patterning of smart materials can exhibit discrete levels of stiffness through the combinations of smart materials used. This work is inspired by a variety of biological systems where actuation is accomplished by modulating the local stiffness in conjunction with muscle contractions. Whereas most biological systems use hydrostatic mechanisms to achieve stiffness variability, and many robotic systems have mimicked this mechanism, this work aims to use smart materials to achieve this stiffness variability. Here we present the compositing of the low melting point Field’s metal, shape memory alloy Nitinol, and a low melting point thermoplastic Polycaprolactone (PCL), composited in simple beam structure within silicone rubber. The comparison in bending stiffnesses at different temperatures, which reside between the activation temperatures of the composited smart materials demonstrates the ability to achieve discrete levels of stiffnesses within the soft robotic tissue.


2018 ◽  
Vol 30 (19) ◽  
pp. 1870134 ◽  
Author(s):  
Peter Q. Nguyen ◽  
Noémie-Manuelle Dorval Courchesne ◽  
Anna Duraj-Thatte ◽  
Pichet Praveschotinunt ◽  
Neel S. Joshi

2001 ◽  
pp. 149-157
Author(s):  
Stefan Schütz ◽  
Bernhard Weißbecker ◽  
Peter Schroth ◽  
Michael J. Schöning

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