Some Recent Developments in NMR Approaches for Studying Liquid Molecular Dynamics and Their Biological Applications

1992 ◽  
Vol 39 (6) ◽  
pp. 479-496 ◽  
Author(s):  
William S. Price ◽  
Lian-Pin Hwang
Keyword(s):  
Molecular Dynamics ◽  
Biological Applications ◽  
Recent Developments

scholarly journals Recent Developments in Using Molecular Dynamics Simulation Techniques to Study Biomolecules

2017 ◽  
Vol 33 (7) ◽  
pp. 1354-1365 ◽  
Author(s):  
Liao-Ran CAO ◽  
◽  
Chun-Yu ZHANG ◽  
Ding-Lin ZHANG ◽  
Hui-Ying CHU ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
Simulation Techniques ◽  
Recent Developments

Varying structural motifs in the salen based metal complexes of Co(ii), Ni(ii) and Cu(ii): synthesis, crystal structures, molecular dynamics and biological activities

2016 ◽  
Vol 45 (47) ◽  
pp. 19096-19108 ◽  
Author(s):  
Anoop Kumar Saini ◽  
Pratibha Kumari ◽  
Vinay Sharma ◽  
Pradeep Mathur ◽  
Shaikh M. Mobin
Keyword(s):  
Molecular Dynamics ◽  
Metal Complexes ◽  
Crystal Structures ◽  
Biological Activities ◽  
Biological Applications ◽  
Reaction Conditions ◽  
Structural Motifs

Four new metal complexes which demonstrates varying structural motifs from monomeric to dimeric to tetrameric complexes by slightly altering the reaction conditions and their biological applications.

Recent developments in non-Newtonian molecular dynamics

1998 ◽  
Vol 305 (1-2) ◽  
pp. 1-92 ◽  
Author(s):  
Sten S. Sarman ◽  
Denis J. Evans ◽  
Peter T. Cummings
Keyword(s):  
Molecular Dynamics ◽  
Recent Developments

scholarly journals Adaptive coevolutionary networks: a review

2007 ◽  
Vol 5 (20) ◽  
pp. 259-271 ◽  
Author(s):  
Thilo Gross ◽  
Bernd Blasius
Keyword(s):  
Game Theory ◽  
Complex Dynamics ◽  
Self Organization ◽  
Adaptive Networks ◽  
Biological Applications ◽  
Network Nodes ◽  
Topological Evolution ◽  
Recent Developments

Adaptive networks appear in many biological applications. They combine topological evolution of the network with dynamics in the network nodes. Recently, the dynamics of adaptive networks has been investigated in a number of parallel studies from different fields, ranging from genomics to game theory. Here we review these recent developments and show that they can be viewed from a unique angle. We demonstrate that all these studies are characterized by common themes, most prominently: complex dynamics and robust topological self-organization based on simple local rules.

Recent Developments in the Chemistry and in the Biological Applications of Amidoximes

2008 ◽  
Vol 14 (10) ◽  
pp. 1001-1047 ◽  
Author(s):  
K. Fylaktakidou ◽  
D. Hadjipavlou-Litina ◽  
K. Litinas ◽  
E. Varella ◽  
D. Nicolaides
Keyword(s):  
Biological Applications ◽  
Recent Developments

The Recent Developments of Molecular Dynamics Simulation

2013 ◽  
Vol 444-445 ◽  
pp. 1370-1373
Author(s):  
Wen Hai Gai ◽  
Ran Guo ◽  
Yuan Yuan Liu
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Rapid Development ◽  
Equations Of Motion ◽  
Dynamics Simulation ◽  
Impact Factors ◽  
Lagrange Equations ◽  
Time Step ◽  
Basic Principles ◽  
Recent Developments

Based on the development of nanomaterials and the research on performance parameters of materials, molecular dynamics simulation has been rapid development and application. It is widely found that the material's physical, mechanical and other properties are both closely related to its macroscopic state and microstructure [. In order to explore and understand the nature of the material properties we need to analyze various impact factors including macroscopic, mesoscopic and microscopic. This paper describes the basic concepts and methods of molecular dynamics. The contents are comprised of time step, formulas such as Lagrange equations of motion and Hamiltonian equations of motion. The basic principles and recent developments of molecular dynamics were reviewed.

Recent developments in synthesis of embelin heterocyclic derivatives and their biological applications

2017 ◽  
Vol 72 (5) ◽  
pp. 1065-1080 ◽  
Author(s):  
Satish Gudala ◽  
Archi Sharma ◽  
V. Rajeswer Rao ◽  
Awanish Kumar ◽  
Santhosh Penta
Keyword(s):  
Biological Applications ◽  
Recent Developments ◽  
Heterocyclic Derivatives

scholarly journals Molecular Dynamics and Machine Learning in Catalysts

Catalysts ◽  
2021 ◽  
Vol 11 (9) ◽  
pp. 1129
Author(s):  
Wenxiang Liu ◽  
Yang Zhu ◽  
Yongqiang Wu ◽  
Cen Chen ◽  
Yang Hong ◽  
...  
Keyword(s):  
Machine Learning ◽  
Molecular Dynamics ◽  
Large Scale ◽  
Reaction Force ◽  
Catalyst Design ◽  
Computer Hardware ◽  
Ab Initio Molecular Dynamics ◽  
Oxidation Reactions ◽  
Recent Developments ◽  
Promising Development

Given the importance of catalysts in the chemical industry, they have been extensively investigated by experimental and numerical methods. With the development of computational algorithms and computer hardware, large-scale simulations have enabled influential studies with more atomic details reflecting microscopic mechanisms. This review provides a comprehensive summary of recent developments in molecular dynamics, including ab initio molecular dynamics and reaction force-field molecular dynamics. Recent research on both approaches to catalyst calculations is reviewed, including growth, dehydrogenation, hydrogenation, oxidation reactions, bias, and recombination of carbon materials that can guide catalyst calculations. Machine learning has attracted increasing interest in recent years, and its combination with the field of catalysts has inspired promising development approaches. Its applications in machine learning potential, catalyst design, performance prediction, structure optimization, and classification have been summarized in detail. This review hopes to shed light and perspective on ML approaches in catalysts.

Recent advances of thiazole hybrids in biological applications

2019 ◽  
Vol 11 (15) ◽  
pp. 1979-1998 ◽  
Author(s):  
Mehmet Gümüş ◽  
Mehmet Yakan ◽  
İrfan Koca
Keyword(s):  
Biological Activity ◽  
Heterocyclic Compounds ◽  
Chemical Reactivity ◽  
Biological Properties ◽  
The Other ◽  
Hybrid Structures ◽  
Thiazole Ring ◽  
Biological Applications ◽  
Recent Advances ◽  
Recent Developments

Thiazoles have attracted much synthetic interest due to their wide variety of biological properties and are important members of heterocyclic compounds. In recent years, studies on the synthesis of thiazole compounds have been increasing because of the properties of this core. In particular, the hybrid structures in which the thiazole ring and the other nuclei are linked have gained popularity. Hybrid structures are formed by the combination of different groups of chemical reactivity and biological activity characteristics. In this review, we highlight recent developments related to hybrid structures containing a thiazole core, recently developed as anticancer, antibacterial, anti-inflammatory, analgesic, anti-tubercular, antialzheimer and antidiabetic compounds.

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