TY  - CHAP
AU  - Pechan, Imre
AU  - Fehér, Béla
ED  - Horacio, Pérez-Sánchez
TI  - Hardware accelerated molecular docking: a survey
T2  - Bioinformatics
PB  - IntechOpen
CY  - Rijeka
SN  - 9789535108788
PY  - 2012
SP  - 1
EP  - 24
PG  - 24
DO  - 10.5772/48125
UR  - https://m2.mtmt.hu/api/publication/2686807
ID  - 2686807
LA  - English
DB  - MTMT
ER  - 

TY  - CHAP
AU  - Pechan, Imre
AU  - Fehér, Béla
ED  - IEEE, null
TI  - Molecular Docking on FPGA and GPU Platforms
T2  - Proceedings of the 21st International Conference on Field Programmable Logic and Applications
PB  - IEEE Press
CY  - New York, New York
SN  - 9781457714849
PY  - 2011
SP  - 474
EP  - 477
PG  - 4
DO  - 10.1109/FPL.2011.93
UR  - https://m2.mtmt.hu/api/publication/2664223
ID  - 2664223
LA  - English
DB  - MTMT
ER  - 

TY  - CONF
AU  - Pechan, Imre
TI  - GPU-Based Acceleration of the AutoDock Molecular Docking Software
T2  - Proceedings of the 18th PhD Minisymposium
PB  - Budapest University of Technology and Economics, Department of Measurement and Information Systems
C1  - Budapest
PY  - 2011
SP  - 70
EP  - 73
PG  - 4
UR  - https://m2.mtmt.hu/api/publication/2664173
ID  - 2664173
LA  - English
DB  - MTMT
ER  - 

TY  - JOUR
AU  - Zsila, Ferenc
AU  - Bikádi, Z
AU  - Malik, D
AU  - Hari, P
AU  - Pechan, Imre
AU  - Berces, A
AU  - Hazai, Eszter
TI  - Evaluation of drug-human serum albumin binding interactions with support vector machine aided online automated docking
JF  - BIOINFORMATICS
J2  - BIOINFORMATICS
VL  - 27
PY  - 2011
IS  - 13
SP  - 1806
EP  - 1813
PG  - 8
SN  - 1367-4803
DO  - 10.1093/bioinformatics/btr284
UR  - https://m2.mtmt.hu/api/publication/1577196
ID  - 1577196
AB  - 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.
LA  - English
DB  - MTMT
ER  - 

TY  - CHAP
AU  - Pechan, Imre
AU  - Fehér, Béla
AU  - Attila, Bérces
ED  - IEEE, null
TI  - FPGA-Based Acceleration of the AutoDock Molecular Docking Software
T2  - 6th Conference on Ph.D. Research in Microelectronics and Electronics
PB  - IEEE Press
CY  - New York, New York
SN  - 9783981375411
PY  - 2010
SP  - 1
EP  - 4
PG  - 4
UR  - https://m2.mtmt.hu/api/publication/2664172
ID  - 2664172
LA  - English
DB  - MTMT
ER  - 

TY  - CHAP
AU  - Pechan, Imre
TI  - An FPGA-Based, Massively Parallel Molecular Docking Machine
T2  - 17th PhD Mini-Symposium of the Department of Measurement and Information Systems
CY  - Budapest
SN  - 9789634209942
PY  - 2010
SP  - 46
EP  - 49
PG  - 4
UR  - https://m2.mtmt.hu/api/publication/2664170
ID  - 2664170
LA  - English
DB  - MTMT
ER  - 

TY  - CHAP
AU  - Pechan, Imre
ED  - BME, null
TI  - Implementing a Global Optimization Algorithm Related to Bioinformatics with a High-Performance FPGA
T2  - 16th PhD Mini-Symposium of the Department of Measurement and Information Systems
PB  - Budapesti Műszaki és Gazdaságtudományi Egyetem
CY  - Budapest
SN  - 9789634209720
PY  - 2009
SP  - 60
EP  - 61
PG  - 2
UR  - https://m2.mtmt.hu/api/publication/2664169
ID  - 2664169
LA  - English
DB  - MTMT
ER  - 

TY  - JOUR
AU  - Pechan, Imre
AU  - Fehér, Béla
TI  - Bioinformatikai algoritmusok gyors számítása FPGA-áramkör alkalmazásával (2. rész)
JF  - ELEKTRONET
J2  - ELEKTRONET
VL  - 17
PY  - 2008
IS  - 8
SP  - 67
EP  - 68
PG  - 2
SN  - 1219-705X
UR  - https://m2.mtmt.hu/api/publication/2664168
ID  - 2664168
LA  - Hungarian
DB  - MTMT
ER  - 

TY  - JOUR
AU  - Pechan, Imre
AU  - Fehér, Béla
TI  - Bioinformatikai algoritmusok gyors számítása FPGA-áramkör alkalmazásával (1. rész)
JF  - ELEKTRONET
J2  - ELEKTRONET
VL  - 17
PY  - 2008
IS  - 7
SP  - 62
EP  - 64
PG  - 3
SN  - 1219-705X
UR  - https://m2.mtmt.hu/api/publication/2664167
ID  - 2664167
LA  - Hungarian
DB  - MTMT
ER  -