نتایج جستجو برای: qmmm docking

تعداد نتایج: 21041  

2001
Wei-Min Shen Peter M. Will

Docking is a crucial action for self-reconfigurable robots because it supports almost all practical advantages of such robots. In addition to the classic docking challenges found in other applications, such as reliable dock/latch mechanics, effective guiding systems, and intelligent control protocols, docking in selfreconfigurable robots is also subject to some unique constraints. These constra...

Journal: :مدیریت صنعتی 0
علی مروتی شریف آبادی استادیار گروه مدیریت صنعتی، دانشکدۀ اقتصاد، مدیریت و حسابداری دانشگاه یزد، یزد، ایران مهناز باروت کوب کارشناس‎ارشد مدیریت صنعتی، دانشکدۀ اقتصاد، مدیریت و حسابداری دانشگاه یزد، یزد، ایران

one of methods of improvement of the material flow is cross docking that in is considered as a good method to reduce inventory and improve customer satisfaction. too, the vehicle routing problem is one of the important problems in distribution management and its goal is to find paths for delivering various cargos. therefore, this study was conducted in order to vehicle routing problem with cros...

Journal: :iranian journal of pharmaceutical research 0
abdul majid ayatollahi phytochemistry research center and school of pharmacy, shahid beheshti university of medical sciences, tehran, i.r. iran. seyed mohammad zarei department of pharmacognosy, school of pharmacy, shahid beheshti university of medical sciences, tehran, i.r. iran. arash memarnejadian department of hepatitis and aids, institute pasture of iran, tehran, i.r. iran. mustafa ghanadian department of pharmacognosy, isfahan faculty of pharmacy, isfahan university of medical sciences, isfahan, i.r. iran. mohammad heydarian moghadam department of audiology, school of rehabilitation, shahid beheshti university of medical sciences, tehran, i.r. iran. farzad kobarfard department of medicinal chemistry, school of pharmacy, shahid beheshti university of medical sciences, tehran, i.r. iran.

phytochemical investigation of the aerial parts of euphorbia erythradenia bioss. (euphorbiaceae), one of iranian endemic euphorbias, with particular attention to triterpene constituents, using methanol solvent extraction was carried out. five known triterpenes, including four cycloartanes and oleanolic acid, were isolated for the first time and identified using nmr and mass techniques. anti hiv...

Asghar Davood, Atefeh Saadabadi Maryam Iman,

  Objective(s): Recently, phthalimide derivatives were designed based on ameltolide and thalidomide as they possess a similar degree of anticonvulsant potency due to their phenytoin-like profile. The ability of phthalimide pharmacophore to interact with neuronal voltage-dependent sodium channels was studied in the batrachotoxin affinity assay. Therefore, in the present study, a series of 19 com...

Journal: :Proteins 2007
Sheng-You Huang Xiaoqin Zou

One approach to incorporate protein flexibility in molecular docking is the use of an ensemble consisting of multiple protein structures. Sequentially docking each ligand into a large number of protein structures is computationally too expensive to allow large-scale database screening. It is challenging to achieve a good balance between docking accuracy and computational efficiency. In this wor...

2002
Inbal Halperin Buyong Ma Haim Wolfson Ruth Nussinov

The docking field has come of age. The time is ripe to present the principles of docking, reviewing the current state of the field. Two reasons are largely responsible for the maturity of the computational docking area. First, the early optimism that the very presence of the “correct” native conformation within the list of predicted docked conformations signals a near solution to the docking pr...

2016
Brandon J. Erickson Gregory L. Cvetanovich Rachel M. Frank Bernard R. Bach Mark S. Cohen Charles A. Bush-Joseph Brian J. Cole Anthony A. Romeo

BACKGROUND Ulnar collateral ligament reconstruction (UCLR) has become a common procedure performed in overhead-throwing athletes of many athletic levels. PURPOSE/HYPOTHESIS The purpose of this study was to determine whether clinical outcomes and return-to-sport (RTS) rates differ among patients undergoing UCLR based on graft choice, surgical technique, athletic competition level, handedness, ...

2007
Robert S. McEwen Brett W. Hobson James G. Bellingham

The Monterey Bay Aquarium Research Institute (MBARI) has developed a 21-inch (54 cm) diameter docking AUV and companion docking station. This program resulted in four consecutive successful autonomous homing and docking events in the open ocean, which included downloading data, uploading a new mission plan, recharging the battery, and complete power cycling of the AUV. We describe the design, s...

Adhami, Vahed, Sepehri, Saghi,

Background & Objective: Because of the reported high ability of virulence and the lack of appropriate drug of Ebola virus during the last decades, many investigations have been accomplished regarding discovery and the introduction of anti-Ebola drugs. The aim of this research was the bioinformatical study of entry and replication of Ebola viral inhibition by drug repurposing. Materials & Method...

Acetylcholinesterase (AChE) enzyme which catalyses the hydrolysis of choline esters, such as acetylcholine, is very important in nerve function. Previous structural studies showed the possible amyloid fibril formation on the AChE. Therefore it is important to understand interaction of ligands to prevent the formation of  amyloid fibrils. The purpose of the present study was to  char...

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