scholarly journals Designing, docking and molecular dynamics simulation studies of novel cloperastine analogues as anti-allergic agents: homology modeling and active site prediction for the human histamine H1 receptor

RSC Advances ◽  
2020 ◽  
Vol 10 (8) ◽  
pp. 4745-4754 ◽  
Author(s):  
Jayasimha Rayalu Daddam ◽  
Basha Sreenivasulu ◽  
Kotha Peddanna ◽  
Katike Umamahesh
Keyword(s):  
Three Dimensional ◽  
Docking Studies ◽  
Dynamics Simulation ◽  
Simulation Studies ◽  
Dimensional Model ◽  
Three Dimensional Model ◽  
H1 Receptor ◽  
Histamine H1 Receptor ◽  
The Core ◽  
Human Histamine

The present study predicts a three-dimensional model for the histamine H1 receptor and the design of antihistamine inhibitors using cloperastine as the core molecule by docking studies.

Three-dimensional model and molecular dynamics simulation of the active site of the self-splicing intervening sequence of the bacteriophage T4 nrdB messenger RNA

Biochemistry ◽  
1990 ◽  
Vol 29 (45) ◽  
pp. 10317-10322 ◽  
Author(s):  
Lennart Nilsson ◽  
Agneta Aahgren-Staalhandske ◽  
Ann Sofie Sjoegren ◽  
Solveig Hahne ◽  
Britt Marie Sjoeberg
Keyword(s):  
Molecular Dynamics ◽  
Active Site ◽  
Messenger Rna ◽  
Bacteriophage T4 ◽  
Three Dimensional ◽  
The Self ◽  
Dynamics Simulation ◽  
Dimensional Model ◽  
Three Dimensional Model ◽  
Self Splicing

Dynamic Simulation Analysis of the Crane Hoisting Process Based on Adams

2014 ◽  
Vol 940 ◽  
pp. 132-135 ◽  
Author(s):  
Yi Fan Zhao ◽  
Ling Sha ◽  
Yi Zhu
Keyword(s):  
Dynamic Simulation ◽  
Simulation Analysis ◽  
Three Dimensional ◽  
Wire Rope ◽  
Dynamics Simulation ◽  
Dimensional Model ◽  
Analysis Model ◽  
Three Dimensional Model ◽  
Adams Software ◽  
Simulation Results

Established the dynamics simulation analysis model of crane hoisting mechanism based on the theory of dynamics in Adams software, and then through the three dimensional model of lifting mechanism dynamics entities, the constraints, load, drive can be added, the motion law can be defined to simulation analysis the change of the force of wire rope, the change of displacement, velocity and acceleration of lifting weight in the lifting process. On the basis of the simulation results, it can make a great improvement for the structure of crane and provide a meaningful theoretical reference for the hoisting machinery innovation design.

AFM-Based Nanoscratching: A 3D Molecular Dynamics Simulation With Experimental Verification

2014 ◽  
Author(s):  
Rapeepan Promyoo ◽  
Hazim El-Mounayri ◽  
Kody Varahramyan
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Md Simulation ◽  
Three Dimensional ◽  
Dynamics Simulation ◽  
Dimensional Model ◽  
Gold Substrate ◽  
Three Dimensional Model ◽  
Friction Forces ◽  
Defect Mechanism

In this paper, a developed three-dimensional model for AFM-based nanomachining is applied to study mechanical scratching at the nanoscale. The correlation between the scratching conditions, including applied force, scratching depth, and distant between any two scratched grooves, and the defect mechanism in the substrate/workpiece is investigated. The simulations of nanoscratching process are performed on different crystal orientations of single-crystal gold substrate, Au(100), Au(110), and Au(111). The material deformation and groove geometry are extracted from the final locations of atoms, which are displaced by the rigid indenter. The simulation also allows for the prediction of normal and friction forces at the interface between the indenter and substrate. An AFM is used to conduct actual scratching at the nanoscale, and provide measurements to which the MD simulation predictions are compared. The predicted forces obtained from MD simulation compares qualitatively with the experimental results.

Design and Simulation Analysis of the Manipulator Used to Feed Gems

2013 ◽  
Vol 364 ◽  
pp. 365-369
Author(s):  
Xiao Lin Deng ◽  
Heng Bing Wei
Keyword(s):  
Simulation Analysis ◽  
Three Dimensional ◽  
Dynamics Simulation ◽  
Kinematics And Dynamics ◽  
Prototype Model ◽  
Dimensional Model ◽  
Three Dimensional Model ◽  
Adams Software ◽  
Working Principle ◽  
Design Requirements

This paper studies and designs the gems feeding manipulator, makes a detailed analysis of the overall structure and working principle of the manipulator, and establishes the three-dimensional model of the manipulator. The virtual prototype model of the manipulator is built in ADAMS software. Use simulation analysis functions of ADAMS to carry out kinematics and dynamics simulation analysis on manipulator, obtaining parameter curves of the manipulator such as position, speed and torque, which verifies it feasible to use manipulator to unload and load gems, achieving the design requirements.

Dynamics Simulation of Large Tower Structure Lifting Process Based on CABLE Modeling

2014 ◽  
Vol 533 ◽  
pp. 145-153
Author(s):  
Hong Zhi Zhang ◽  
Xuan Yu Sheng
Keyword(s):  
Steel Wire ◽  
Three Dimensional ◽  
Wire Rope ◽  
Dynamics Simulation ◽  
Physical Parameters ◽  
Dimensional Model ◽  
Analysis Model ◽  
Three Dimensional Model ◽  
Tower Structure ◽  
Eccentric Structure

In this paper, three-dimensional model of the flexible steel wire rope was established by using CABLE software in CATIA software. After defining the physical parameters of the steel wire rope, the dynamics analysis model of wire rope was established in motion workbench. Further fully model was assembled and simulated including cranes, tower, ground in motion workbench. Finally, we obtained hoisting structure of the trajectory curve, dynamic response, eccentric structure, flipping, etc., as well as interference with the surrounding objects.

CAD Software Development for the Continuous Flexible Forming Process

2011 ◽  
Vol 189-193 ◽  
pp. 2907-2910
Author(s):  
Lin Liu ◽  
Zhong Yi Cai ◽  
Shao Hui Wang ◽  
Mine Zhe Li
Keyword(s):  
Three Dimensional ◽  
Cad Model ◽  
Dimensional Model ◽  
Three Dimensional Model ◽  
Forming Process ◽  
Flexible Forming ◽  
The Core ◽  
Core Function ◽  
Flexible Forming Process ◽  
The Mathematical Model

The software for the continuous flexible forming process was developed using Visual C++ platform. It can directly read the triangular mesh data of the CAD model. The three-dimensional model was reconstructed rapidly by using the core function of the OpenGL. Moreover, the mathematical model of adjusting the flexible rolls and the longitudinal curvature were established by this software. Using these mathematical descriptions the simulation of the continuous flexible forming process can be finished from the viewpoint of geometry.

scholarly journals Gwadar Opening and its Manipulative Intertextual Portrayal in the English Newspaper Editorials of Pakistan

2020 ◽  
Vol V (III) ◽  
pp. 218-231
Author(s):  
Sadia Siddiq ◽  
Muhammad Uzair
Keyword(s):  
Qualitative Study ◽  
Text Analysis ◽  
Three Dimensional ◽  
Dimensional Model ◽  
Three Dimensional Model ◽  
The Core ◽  
Appraisal Analysis ◽  
Newspaper Editorials

Unnoticeable maneuverings via the practice of intertextual capitals do snip their existence in the editorials, which ordinary readers may well discover difficult to locate. The picture turns out to be additionally complicated when associated with nationwide affairs of vast magnitude. To bound the expected manipulation of the informative plans given to the readers through the editorials, the current qualitative study mounted to scrutinize editorials of two leading Pakistani English newspapers wherein the researcher situated and inspected the occurrences of tricky usage of intertextual capitals applying appraisal analysis at the core of text analysis within Fairclough's three-dimensional model. The outcomes of intertextual study reveal significant and devious use of intertextual strategies and instruments by the newspapers to support and propagate their particular ideologies and plans

Obstacle Performance of Track Robot with Passive Rocker Based on Recurdyn

2013 ◽  
Vol 397-400 ◽  
pp. 1580-1588
Author(s):  
Man Lu Liu ◽  
Jing Zhang ◽  
Kuan Li
Keyword(s):  
Three Dimensional ◽  
Simulation Software ◽  
Dynamics Simulation ◽  
Prototype Model ◽  
Dimensional Model ◽  
Three Dimensional Model ◽  
Kinematics Simulation ◽  
Body Dynamics ◽  
Set Up ◽  
Multi Body

To solve the instability of track robot in the process of climbing obstacles, a track robot with passive rocker was designed and a three-dimensional model of track robot was developed by Unigraphics NX in this paper. Furthermore, the kinematic analysis was made for obstacle performance of the track robot. The virtual prototype model of the track robot with passive rocker was set up by using the tracked vehicle subsystem of multi-body dynamics simulation software RecurDyn and kinematics simulation for this robot was made. The simulation results verify the feasibility of the machine and provide some theoretical guidance for developing the obstacle performance of track robot.

A Gravity Model for the Guichon Creek Batholith, South-central British Columbia

1973 ◽  
Vol 10 (6) ◽  
pp. 920-935 ◽  
Author(s):  
C. A. Ager ◽  
T. J. Ulrych ◽  
W. J. McMillan
Keyword(s):  
British Columbia ◽  
Gravity Model ◽  
Three Dimensional ◽  
Mineral Deposits ◽  
Low Grade ◽  
Dimensional Model ◽  
Three Dimensional Model ◽  
The Core ◽  
South Central ◽  
Surface Projection

The Guichon Creek batholith, located in south-central British Columbia, contains several large, low-grade copper deposits of considerable economic importance.A three dimensional model for the batholith has been proposed on the basis of a gravity survey conducted in 1971. Its gross shape can be likened to that of a flattened funnel-like structure with a tilted spout. The distribution of mineral deposits appears to be spatially related to the surface projection of the core of the batholith.

Optimize Design on the Key Parts of Ring Die Fuel Pellet Machine

2013 ◽  
Vol 860-863 ◽  
pp. 2707-2711
Author(s):  
Wei Gao ◽  
Qing Yu Liu ◽  
Rong Fei Zhao ◽  
Shi Yang Gu
Keyword(s):  
Fatigue Damage ◽  
Production Efficiency ◽  
Three Dimensional ◽  
Dynamics Simulation ◽  
Fuel Pellet ◽  
Design Parameters ◽  
Dimensional Model ◽  
Three Dimensional Model ◽  
Unit Output ◽  
Die Service Life

This paper analyzes the problems existing in the design and operation of ring die fuel pellet machine, and proposed to optimize the key parts. Determine the reasonable number of roller on the theory of fatigue damage after drawing up the related design parameters of ring die and the roller, a three-dimensional model of the link mold pellet machine is established using Pro/E soft-ware, and transferred the model into ADAMS software through Mech/Pro which dedicated interface software, then used ADAMS to make a dynamics simulation. Through calculation, the stress amplitude impact on the ring die and the Energy consumption per unit output are smallest when roller number is four. So, ring die service life and equipment production efficiency can be improved effectively through setting up reasonable roller number. Keywords-fuel pellet machine; roller; ring die; fatigue damage; three-dimensional model; dynamics simulation

Sign in / Sign up

Export Citation Format

Share Document