A recursive algorithm for efficient combinatorial library docking

2005 ◽  
pp. 63-81
Author(s):  
Matthias Rarey ◽  
Thomas Lengauer
Keyword(s):  
Combinatorial Library ◽  
Recursive Algorithm

License Plate Localization Using Novel Recursive Algorithm And Pixel Count Method

2013 ◽  
Vol 2 (2) ◽  
pp. 6-16 ◽  
Author(s):  
Siddharth Choubey ◽  
◽  
G.R. Sinha ◽  
Keyword(s):  
Recursive Algorithm ◽  
License Plate ◽  
Count Method

Insilico studies, synthesis and antitubercular activity of some novel quinoline – azitidinone derivatives

2020 ◽  
Vol 16 ◽  
Author(s):  
Trupti. S. Chitre ◽  
Kalyani. D. Asgaonkar ◽  
Amrut B. Vikhe ◽  
Shital M Patil ◽  
Dinesh. R. Garud ◽  
...  
Keyword(s):  
Combinatorial Library ◽  
3D Qsar ◽  
Antitubercular Activity ◽  
Structural Features ◽  
Docking Studies ◽  
Quinoline Derivatives ◽  
Qsar Models ◽  
Molecular Modeling Studies ◽  
Lead Generation ◽  
Mcf 7

Background: Diarylquinolines like Bedaquiline have shown promising antitubercular activity by their action of Mycobacterial ATPase. Objective: The structural features necessary for good antitubercular activity for a series of quinoline derivatives were explored through computational chemistry tools like QSAR and combinatorial library generation. In the current study, 3-Chloro-4-(2-mercaptoquinoline-3-yl)-1-substitutedphenylazitidin-2-one derivatives have been designed and synthesized based on molecular modeling studies as anti-tubercular agents. Method: 2D and 3DQSAR analysis was used to designed compounds having quinoline scaffold. The synthesized compounds were evaluated against active and dormant strains of Mycobacterium tuberculosis (MTB) H37 Ra and Mycobacterium bovis BCG. The compounds were also tested for cytotoxicity against MCF-7, A549 and Panc-1 cell lines using MTT assay. Binding affinity of designed compounds was gauged by molecular docking studies. Results: Statistically significant QSAR models generated by SA-MLR method for 2D QSAR exhibited r2 = 0.852, q2 = 0.811and whereas 3D QSAR with SA-kNN showed q2 = 0.77. The synthesized compounds exhibited MIC in the range of 1.38-14.59(µg/ml) .These compounds showed some crucial interaction with MTB Atpase. Conclusion: The present study has shown some promising results which can be further explored for lead generation.

LMI-based hybrid temporal-spatial differential control design for a class of Euler-Bernoulli beam system

2021 ◽  
pp. 095440622110036
Author(s):  
Jiaqi Zhong ◽  
Xiaolei Chen ◽  
Yupeng Yuan ◽  
Jiajia Tan
Keyword(s):  
Vibration Suppression ◽  
Direct Method ◽  
Recursive Algorithm ◽  
Linear Matrix ◽  
Bernoulli Beam ◽  
Hybrid Controller ◽  
Beam System ◽  
Active Vibration ◽  
Differential Control ◽  
Euler Bernoulli Beam

This paper addresses the problem of active vibration suppression for a class of Euler-Bernoulli beam system. The objective of this paper is to design a hybrid temporal-spatial differential controller, which is involved with the in-domain and boundary actuators, such that the closed-loop system is stable. The Lyapunov’s direct method is employed to derive the sufficient condition, which not only can guarantee the stabilization of system, but also can improve the spatial cooperation of actuators. In the framework of the linear matrix inequalities (LMIs) technology, the gain matrices of hybrid controller can obtained by developing a recursive algorithm. Finally, the effectiveness of the proposed methodology is demonstrated by applying a numerical simulation.

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