Computer Science
Listando 10 trabajos de la institución 40
Lista de trabajos en el área Computer Science
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Article
Combined Structure and Ligand-Based Design of Selective Acetylcholinesterase Inhibitors
Perez-Sanchez, Horacio; den Haan, Helena; Perez-Garrido, Alfonso; Pena-Garcia, Jorge; Chakraborty, Sandipan; Orhan, Ilkay Erdogan; Deniz, Fatma Sezer Senol; Manuel Villalgordo, Jose
JOURNAL OF CHEMICAL INFORMATION AND MODELING
1549-9596 (2021)
DOI /
10.1021/acs.jcim.0c00463
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9
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Review
Application advances of deep learning methods for de novo drug design and molecular dynamics simulation
Bai, Qifeng; Liu, Shuo; Tian, Yanan; Xu, Tingyang; Banegas-Luna, Antonio Jesus; Perez-Sanchez, Horacio; Huang, Junzhou; Liu, Huanxiang; Yao, Xiaojun
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE
1759-0876 (2021)
DOI /
10.1002/wcms.1581
Hybrid
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23
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Current Status of Carbohydrates Information in the Protein Data Bank
de Meirelles, Joao L.; Nepomuceno, Felipe C.; Pena-Garcia, Jorge; Schmidt, Ricardo Rodriguez; Perez-Sanchez, Horacio; Verli, Hugo
JOURNAL OF CHEMICAL INFORMATION AND MODELING
1549-9596 (2020)
DOI /
10.1021/acs.jcim.9b00874
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7
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Accelerating Big Data Analysis through LASSO-Random Forest Algorithm in QSAR Studies
Motamedi, Fahimeh; Perez-Sanchez, Horacio; Mehridehnavi, Alireza; Fassihi, Afshin; Ghasemi, Fahimeh
BIOINFORMATICS
(2021)
DOI /
10.1093/bioinformatics/btab659
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QN-Docking: An innovative molecular docking methodology based on Q-Networks
Serrano, Antonio; Imbernon, Baldomero; Perez-Sanchez, Horacio; Cecilia, Jose M.; Bueno-Crespo, Andres; Abellan, Jose L.
APPLIED SOFT COMPUTING
1568-4946 (2020)
DOI /
10.1016/j.asoc.2020.106678
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6
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STONNE: Enabling Cycle-Level Microarchitectural Simulation for DNN Inference Accelerators
Munoz-Martinez, Francisco; Abellan, Jose L.; Acacio, Manuel E.; Krishna, Tushar
IEEE COMPUTER ARCHITECTURE LETTERS
1556-6056 (2021)
DOI /
10.1109/lca.2021.3097253
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Intercalation Ability of Novel Monofunctional Platinum Anticancer Drugs: A Key Step in Their Biological Action
Veclani, Daniele; Tolazzi, Marilena; Ceron-Carrasco, Jose P.; Melchior, Andrea
JOURNAL OF CHEMICAL INFORMATION AND MODELING
1549-9596 (2021)
DOI /
10.1021/acs.jcim.1c00430
Green published
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2
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Deep neural network in QSAR studies using deep belief network
Ghasemi, Fahimeh; Mehridehnavi, Alireza; Fassihi, Afshin; Perez-Sanchez, Horacio
APPLIED SOFT COMPUTING
1568-4946 (2018)
DOI /
10.1016/j.asoc.2017.09.040
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6
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Efficient GPU-based parallelization of solvation calculation for the blind docking problem
Saadi, Hocine; Taboudjemat, Nadia Nouali; Rahmoun, Abdellatif; Imbernon, Baldomero; Perez-Sanchez, Horacio; Cecilia, Jose M.
JOURNAL OF SUPERCOMPUTING
0920-8542 (2020)
DOI /
10.1007/s11227-019-02834-5
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4
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Land-use dynamic discovery based on heterogeneous mobility sources
Terroso-Saenz, Fernando; Munoz, Andres; Arcas, Francisco
INTERNATIONAL JOURNAL OF INTELLIGENT SYSTEMS
0884-8173 (2020)
DOI /
10.1002/int.22307
