%0 Journal Article %1 Cheng2012StructureVirtualScreening %A Cheng, Tiejun %A Li, Qingliang %A Zhou, Zhigang %A Wang, Yanli %A Bryant, Stephen H. %D 2012 %J The AAPS Journal %K computational-biology ligand-binding virtual-screening %N 1 %P 133--141 %R 10.1208/s12248-012-9322-0 %T Structure-Based Virtual Screening for Drug Discovery: a Problem-Centric Review %U http://dx.doi.org/10.1208/s12248-012-9322-0 %V 14 %X Structure-based virtual screening (SBVS) has been widely applied in early-stage drug discovery. From a problem-centric perspective, we reviewed the recent advances and applications in SBVS with a special focus on docking-based virtual screening. We emphasized the researchers' practical efforts in real projects by understanding the ligand-target binding interactions as a premise. We also highlighted the recent progress in developing target-biased scoring functions by optimizing current generic scoring functions toward certain target classes, as well as in developing novel ones by means of machine learning techniques.

@article{Cheng2012StructureVirtualScreening, abstract = {Structure-based virtual screening (SBVS) has been widely applied in early-stage drug discovery. From a problem-centric perspective, we reviewed the recent advances and applications in SBVS with a special focus on docking-based virtual screening. We emphasized the researchers' practical efforts in real projects by understanding the ligand-target binding interactions as a premise. We also highlighted the recent progress in developing target-biased scoring functions by optimizing current generic scoring functions toward certain target classes, as well as in developing novel ones by means of machine learning techniques.}, added-at = {2016-04-28T18:37:52.000+0200}, author = {Cheng, Tiejun and Li, Qingliang and Zhou, Zhigang and Wang, Yanli and Bryant, Stephen H.}, biburl = {https://www.bibsonomy.org/bibtex/246264cb5d73793f469550163badf88f9/salotz}, doi = {10.1208/s12248-012-9322-0}, interhash = {e3229d5932a0be7691c9cbc1d12983a2}, intrahash = {46264cb5d73793f469550163badf88f9}, issn = {1550-7416}, journal = {The AAPS Journal}, keywords = {computational-biology ligand-binding virtual-screening}, number = 1, pages = {133--141}, timestamp = {2016-04-28T18:37:52.000+0200}, title = {Structure-Based Virtual Screening for Drug Discovery: a Problem-Centric Review}, url = {http://dx.doi.org/10.1208/s12248-012-9322-0}, volume = 14, year = 2012 }