نتایج جستجو برای: qmmm docking
تعداد نتایج: 21041 فیلتر نتایج به سال:
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...
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...
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...
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...
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...
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...
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, ...
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...
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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