@{MTMT:2686807, title = {Hardware accelerated molecular docking: a survey}, url = {https://m2.mtmt.hu/api/publication/2686807}, author = {Pechan, Imre and Fehér, Béla}, booktitle = {Bioinformatics}, doi = {10.5772/48125}, unique-id = {2686807}, year = {2012}, pages = {1-24} } @inproceedings{MTMT:2664223, title = {Molecular Docking on FPGA and GPU Platforms}, url = {https://m2.mtmt.hu/api/publication/2664223}, author = {Pechan, Imre and Fehér, Béla}, booktitle = {Proceedings of the 21st International Conference on Field Programmable Logic and Applications}, doi = {10.1109/FPL.2011.93}, unique-id = {2664223}, year = {2011}, pages = {474-477} } @CONFERENCE{MTMT:2664173, title = {GPU-Based Acceleration of the AutoDock Molecular Docking Software}, url = {https://m2.mtmt.hu/api/publication/2664173}, author = {Pechan, Imre}, booktitle = {Proceedings of the 18th PhD Minisymposium}, unique-id = {2664173}, year = {2011}, pages = {70-73} } @article{MTMT:1577196, title = {Evaluation of drug-human serum albumin binding interactions with support vector machine aided online automated docking}, url = {https://m2.mtmt.hu/api/publication/1577196}, author = {Zsila, Ferenc and Bikádi, Z and Malik, D and Hari, P and Pechan, Imre and Berces, A and Hazai, Eszter}, doi = {10.1093/bioinformatics/btr284}, journal-iso = {BIOINFORMATICS}, journal = {BIOINFORMATICS}, volume = {27}, unique-id = {1577196}, issn = {1367-4803}, abstract = {Human serum albumin (HSA), the most abundant plasma protein is well known for its extraordinary binding capacity for both endogenous and exogenous substances, including a wide range of drugs. Interaction with the two principal binding sites of HSA in subdomain IIA (site 1) and in subdomain IIIA (site 2) controls the free, active concentration of a drug, provides a reservoir for a long duration of action and ultimately affects the ADME (absorption, distribution, metabolism, and excretion) profile. Due to the continuous demand to investigate HSA binding properties of novel drugs, drug candidates and drug-like compounds, a support vector machine (SVM) model was developed that efficiently predicts albumin binding. Our SVM model was integrated to a free, web-based prediction platform (http://albumin.althotas.com). Automated molecular docking calculations for prediction of complex geometry are also integrated into the web service. The platform enables the users (i) to predict if albumin binds the query ligand, (ii) to determine the probable ligand binding site (site 1 or site 2), (iii) to select the albumin X-ray structure which is complexed with the most similar ligand and (iv) to calculate complex geometry using molecular docking calculations. Our SVM model and the potential offered by the combined use of in silico calculation methods and experimental binding data is illustrated.}, year = {2011}, eissn = {1460-2059}, pages = {1806-1813} } @inproceedings{MTMT:2664172, title = {FPGA-Based Acceleration of the AutoDock Molecular Docking Software}, url = {https://m2.mtmt.hu/api/publication/2664172}, author = {Pechan, Imre and Fehér, Béla and Attila, Bérces}, booktitle = {6th Conference on Ph.D. Research in Microelectronics and Electronics}, unique-id = {2664172}, year = {2010}, pages = {1-4} } @inproceedings{MTMT:2664170, title = {An FPGA-Based, Massively Parallel Molecular Docking Machine}, url = {https://m2.mtmt.hu/api/publication/2664170}, author = {Pechan, Imre}, booktitle = {17th PhD Mini-Symposium of the Department of Measurement and Information Systems}, unique-id = {2664170}, year = {2010}, pages = {46-49} } @inproceedings{MTMT:2664169, title = {Implementing a Global Optimization Algorithm Related to Bioinformatics with a High-Performance FPGA}, url = {https://m2.mtmt.hu/api/publication/2664169}, author = {Pechan, Imre}, booktitle = {16th PhD Mini-Symposium of the Department of Measurement and Information Systems}, unique-id = {2664169}, year = {2009}, pages = {60-61} } @article{MTMT:2664168, title = {Bioinformatikai algoritmusok gyors számítása FPGA-áramkör alkalmazásával (2. rész)}, url = {https://m2.mtmt.hu/api/publication/2664168}, author = {Pechan, Imre and Fehér, Béla}, journal-iso = {ELEKTRONET}, journal = {ELEKTRONET}, volume = {17}, unique-id = {2664168}, issn = {1219-705X}, year = {2008}, eissn = {1588-0338}, pages = {67-68} } @article{MTMT:2664167, title = {Bioinformatikai algoritmusok gyors számítása FPGA-áramkör alkalmazásával (1. rész)}, url = {https://m2.mtmt.hu/api/publication/2664167}, author = {Pechan, Imre and Fehér, Béla}, journal-iso = {ELEKTRONET}, journal = {ELEKTRONET}, volume = {17}, unique-id = {2664167}, issn = {1219-705X}, year = {2008}, eissn = {1588-0338}, pages = {62-64} }