Binding mode and induced fit predictions for prospective computational drug design
Computer-aided drug design plays an important role in medicinal chemistry to obtain
insights into molecular mechanisms and to prioritize design strategies. Although significant …
insights into molecular mechanisms and to prioritize design strategies. Although significant …
Evaluation of galaxydock based on the community structure–activity resource 2013 and 2014 benchmark studies
We analyze the results of the GalaxyDock protein–ligand docking program in the two recent
experiments of Community Structure–Activity Resource (CSAR), CSAR 2013 and 2014 …
experiments of Community Structure–Activity Resource (CSAR), CSAR 2013 and 2014 …
Contact‐assisted protein structure modeling by global optimization in CASP11
We have applied the conformational space annealing method to the contact‐assisted
protein structure modeling in CASP11. For Tp targets, where predicted residue–residue …
protein structure modeling in CASP11. For Tp targets, where predicted residue–residue …
Different types of molecular docking based on variations of interacting molecules: variations of molecular docking
A Das, S Bhattacharya - … and algorithms for molecular docking-based …, 2016 - igi-global.com
Molecular docking plays an important role in drug discovery research by facilitating target
identification, target validation, virtual screening for lead identification and lead optimization …
identification, target validation, virtual screening for lead identification and lead optimization …
Link community detection through global optimization and the inverse resolution limit of partition density
We investigate the possibility of global optimization-based overlapping community detection,
using link community framework. We first show that partition density, the original quality …
using link community framework. We first show that partition density, the original quality …
Prediction of protein interactions by bioinformatics and physical chemistry approaches
이하섭 - 2016 - s-space.snu.ac.kr
Proteins play key roles in many biological systems through protein interactions. Research of
protein interactions can help to understand protein functions and develop new drugs …
protein interactions can help to understand protein functions and develop new drugs …