Add to ORKGThis project aims to improve the results of virtual screening and docking techniques used for drug design, using induced-fit techniques and a consensus scoring approach
Abstract: The use of in silico methods for identifying new drugs to a target of interest is a step o...
Simulating protein flexibility is a major issue in the docking-based drug-design process for which a...
Ligand docking is a widely used approach in virtual screening. In recent years a large number of pub...
This project aims to improve the results of virtual screening and docking techniques used for drug d...
Docking is commonly applied to drug design efforts, especially high-throughput virtual screenings of...
Abstract Background Development of a fast and accurate scoring function in virtual screening remains...
Virtual screening (VS) is a well-established method in the initial stages of many drug and material ...
Pharmacophore modeling, QSAR analysis, CoMFA, CoMSIA, docking and molecular dynamics simulations, ar...
Virtual screening is an effective way to find hits in drug discovery, with approaches ranging from f...
Pressure is mounting on the pharmaceutical industry to reduce both the cost of drugs and the time to...
A critical analysis of virtual screening results published between 2007 and 2011 was performed. The ...
To address the imbalanced data problem in molecular docking-based virtual screening methods, this pa...
Virtual ligand screening (VLS) is an in silico technology used for the productive andcost effective ...
Motivation: Virtual screening of molecular compound libraries is a potentially powerful and inexpens...
The study proposes a novel consensus strategy based on linear combinations of different docking scor...
Abstract: The use of in silico methods for identifying new drugs to a target of interest is a step o...
Simulating protein flexibility is a major issue in the docking-based drug-design process for which a...
Ligand docking is a widely used approach in virtual screening. In recent years a large number of pub...
This project aims to improve the results of virtual screening and docking techniques used for drug d...
Docking is commonly applied to drug design efforts, especially high-throughput virtual screenings of...
Abstract Background Development of a fast and accurate scoring function in virtual screening remains...
Virtual screening (VS) is a well-established method in the initial stages of many drug and material ...
Pharmacophore modeling, QSAR analysis, CoMFA, CoMSIA, docking and molecular dynamics simulations, ar...
Virtual screening is an effective way to find hits in drug discovery, with approaches ranging from f...
Pressure is mounting on the pharmaceutical industry to reduce both the cost of drugs and the time to...
A critical analysis of virtual screening results published between 2007 and 2011 was performed. The ...
To address the imbalanced data problem in molecular docking-based virtual screening methods, this pa...
Virtual ligand screening (VLS) is an in silico technology used for the productive andcost effective ...
Motivation: Virtual screening of molecular compound libraries is a potentially powerful and inexpens...
The study proposes a novel consensus strategy based on linear combinations of different docking scor...
Abstract: The use of in silico methods for identifying new drugs to a target of interest is a step o...
Simulating protein flexibility is a major issue in the docking-based drug-design process for which a...
Ligand docking is a widely used approach in virtual screening. In recent years a large number of pub...