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Absolute binding free energies for octa-acids and guests in SAMPL5.
- Published in:
- Journal of Computer-Aided Molecular Design, 2017, v. 31, n. 1, p. 107, doi. 10.1007/s10822-016-9965-5
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- Article
Absolute binding free energy calculations of CBClip host-guest systems in the SAMPL5 blind challenge.
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- Journal of Computer-Aided Molecular Design, 2017, v. 31, n. 1, p. 71, doi. 10.1007/s10822-016-9968-2
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- Article
Calculating distribution coefficients based on multi-scale free energy simulations: an evaluation of MM and QM/MM explicit solvent simulations of water-cyclohexane transfer in the SAMPL5 challenge.
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- Journal of Computer-Aided Molecular Design, 2016, v. 30, n. 11, p. 989, doi. 10.1007/s10822-016-9936-x
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- Article
Blind prediction of distribution in the SAMPL5 challenge with QM based protomer and p K corrections.
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- Journal of Computer-Aided Molecular Design, 2016, v. 30, n. 11, p. 1087, doi. 10.1007/s10822-016-9955-7
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- Article
2nd-Order Pipelined Noise-Shaping SAR ADC Using Error-Feedback Structure.
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- Electronics (2079-9292), 2022, v. 11, n. 19, p. 3072, doi. 10.3390/electronics11193072
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- Article
A Pipelined Noise-Shaping SAR ADC Using Ring Amplifier.
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- Electronics (2079-9292), 2021, v. 10, n. 16, p. 1968, doi. 10.3390/electronics10161968
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- Article
Identifying the Hot Spot Residues of the SARS-CoV-2 Main Protease Using MM-PBSA and Multiple Force Fields.
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- Life (2075-1729), 2022, v. 12, n. 1, p. 54, doi. 10.3390/life12010054
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- Article
A new test for diagnosing vasovagal syncope: Standing after treadmill test with sublingual nitrate administration.
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- PLoS ONE, 2017, v. 12, n. 6, p. 1, doi. 10.1371/journal.pone.0179631
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- Article
Improved network community structure improves function prediction.
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- Scientific Reports, 2013, p. 1, doi. 10.1038/srep02197
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- Article
Ischemic and bleeding outcomes of triple therapy in patients on chronic anticoagulation undergoing percutaneous coronary intervention: A meta-analysis of randomized trials.
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- JRSM Cardiovascular Disease, 2019, v. 8, p. N.PAG, doi. 10.1177/2048004019885572
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- Publication type:
- Article
Percutaneous coronary intervention vs coronary artery bypass grafting for left main coronary artery disease? A systematic review and meta-analysis of randomized controlled trials.
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- Cardiovascular Therapeutics, 2017, v. 35, n. 3, p. n/a, doi. 10.1111/1755-5922.12260
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- Article
CRFalign: A Sequence-Structure Alignment of Proteins Based on a Combination of HMM-HMM Comparison and Conditional Random Fields.
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- Molecules, 2022, v. 27, n. 12, p. 3711, doi. 10.3390/molecules27123711
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- Article
Retrosynthetic reaction pathway prediction through neural machine translation of atomic environments.
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- Nature Communications, 2022, v. 13, n. 1, p. 1, doi. 10.1038/s41467-022-28857-w
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- Article
Retrosynthetic reaction pathway prediction through neural machine translation of atomic environments.
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- Nature Communications, 2022, v. 13, n. 1, p. 1, doi. 10.1038/s41467-022-28857-w
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- Article
Different Sequences of Fractionated Low-Dose Proton and Single Iron-Radiation-Induced Divergent Biological Responses in the Heart.
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- Radiation Research, 2017, v. 188, n. 2, p. 191, doi. 10.1667/RR14667.1
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- Article
A-Prot: protein structure modeling using MSA transformer.
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- BMC Bioinformatics, 2022, v. 23, n. 1, p. 1, doi. 10.1186/s12859-022-04628-8
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- Article
S-Pred: protein structural property prediction using MSA transformer.
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- Scientific Reports, 2022, v. 12, n. 1, p. 1, doi. 10.1038/s41598-022-18205-9
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- Article
Effects of Market Reform on Facility Investment in Electric Power Industry: Panel Data Analysis of 27 Countries.
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- Sustainability (2071-1050), 2018, v. 10, n. 9, p. 3235, doi. 10.3390/su10093235
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- Article
Template based protein structure modeling by global optimization in CASP11.
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- Proteins, 2016, v. 84, p. 221, doi. 10.1002/prot.24917
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- Article
Protein structure modeling for CASP10 by multiple layers of global optimization.
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- Proteins, 2014, v. 82, p. 188, doi. 10.1002/prot.24397
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- Article
De novo protein structure prediction by dynamic fragment assembly and conformational space annealing.
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- Proteins, 2011, v. 79, n. 8, p. 2403, doi. 10.1002/prot.23059
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- Article
A statistical rescoring scheme for protein-ligand docking: Consideration of entropic effect.
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- Proteins, 2008, v. 70, n. 3, p. 1074, doi. 10.1002/prot.21844
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- Article
Innovation in Data Abstraction, Education, and Consistent Application of Best Practice Guidelines: Experience and Real-World Results from a University Hospital in a Cost-Centric Environment.
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- Connecticut Medicine, 2016, v. 80, n. 2, p. 97
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- Article
A Case of Isolated External Iliac Vein Compression Syndrome and the Role of Advanced Imaging.
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- Vascular & Endovascular Surgery, 2020, v. 54, n. 6, p. 536, doi. 10.1177/1538574420927551
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- Article
Stenosis Caused by Suture-Mediated Vascular Closure Device in an Angiographic Normal Common Femoral Artery: Its Mechanism and Management.
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- Vascular & Endovascular Surgery, 2019, v. 53, n. 1, p. 58, doi. 10.1177/1538574418791883
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- Article
Late-Onset Nonthrombotic Left Common Iliac Vein Compression Secondary to Degenerative Lumbar Disc: A Case Report of May-Thurner Variant.
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- Vascular & Endovascular Surgery, 2019, v. 53, n. 1, p. 62, doi. 10.1177/1538574418791884
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- Article
Finding multiple reaction pathways via global optimization of action.
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- Nature Communications, 2017, v. 8, n. 5, p. 15443, doi. 10.1038/ncomms15443
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- Article
Cardiovascular Risks Associated with Low Dose Ionizing Particle Radiation.
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- PLoS ONE, 2014, v. 9, n. 10, p. 1, doi. 10.1371/journal.pone.0110269
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- Article
Random Forest-Based Protein Model Quality Assessment (RFMQA) Using Structural Features and Potential Energy Terms.
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- PLoS ONE, 2014, v. 9, n. 9, p. 1, doi. 10.1371/journal.pone.0106542
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- Article
Community-Based Network Study of Protein-Carbohydrate Interactions in Plant Lectins Using Glycan Array Data.
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- PLoS ONE, 2014, v. 9, n. 4, p. 1, doi. 10.1371/journal.pone.0095480
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- Article
Hidden Information Revealed by Optimal Community Structure from a Protein-Complex Bipartite Network Improves Protein Function Prediction.
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- PLoS ONE, 2013, v. 8, n. 4, p. 1, doi. 10.1371/journal.pone.0060372
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- Article
Correction: Improving the quality of chemical language model outcomes with atom-in-SMILES tokenization.
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- 2023
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- Correction Notice
Correction: Reconstruction of lossless molecular representations from fingerprints.
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- 2023
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- Correction Notice
Improving the quality of chemical language model outcomes with atom-in-SMILES tokenization.
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- Journal of Cheminformatics, 2023, v. 15, n. 1, p. 1, doi. 10.1186/s13321-023-00725-9
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- Article
Reconstruction of lossless molecular representations from fingerprints.
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- Journal of Cheminformatics, 2023, v. 15, n. 1, p. 1, doi. 10.1186/s13321-023-00693-0
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- Article
MolFinder: an evolutionary algorithm for the global optimization of molecular properties and the extensive exploration of chemical space using SMILES.
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- Journal of Cheminformatics, 2021, v. 13, n. 1, p. 1, doi. 10.1186/s13321-021-00501-7
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- Article
Substructure-based neural machine translation for retrosynthetic prediction.
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- Journal of Cheminformatics, 2021, v. 13, n. 1, p. 1, doi. 10.1186/s13321-020-00482-z
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- Article
Characterization of the role of Kunitz‐type protease inhibitor domain in dimerization of amyloid precursor protein.
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- Journal of Computational Chemistry, 2023, v. 44, n. 15, p. 1437, doi. 10.1002/jcc.27100
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- Article
Mobile Personal Multi-Access Edge Computing Architecture Composed of Individual User Devices.
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- Applied Sciences (2076-3417), 2020, v. 10, n. 13, p. 4643, doi. 10.3390/app10134643
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- Article
Computational scheme for pH-dependent binding free energy calculation with explicit solvent.
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- Protein Science: A Publication of the Protein Society, 2016, v. 25, n. 1, p. 231, doi. 10.1002/pro.2755
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- Article
Recurrent Acute Limb Ischemia and Successful Treatment with Endovascular Thrombectomy.
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- Yonsei Medical Journal, 2024, v. 65, n. 8, p. 488, doi. 10.3349/ymj.2023.0367
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- Article
Sigma-RF: prediction of the variability of spatial restraints in template-based modeling by random forest.
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- BMC Bioinformatics, 2015, v. 16, n. 1, p. 1, doi. 10.1186/s12859-015-0526-z
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- Article
Sigma-RF: prediction of the variability of spatial restraints in template-based modeling by random forest.
- Published in:
- BMC Bioinformatics, 2015, v. 16, n. 1, p. 1, doi. 10.1186/s12859-015-0526-z
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- Publication type:
- Article
Preallocated Duplicate Name Prefix Detection Mechanism Using Naming Pool in CCN Based Mobile IoT Networks.
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- Mobile Information Systems, 2016, p. 1, doi. 10.1155/2016/9684032
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- Article
A Study on the Optimal Ratio of Research and Development Investment in the Energy Sector: An Empirical Analysis in South Korea.
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- Energies (19961073), 2019, v. 12, n. 2, p. 288, doi. 10.3390/en12020288
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- Article
Association of endothelin-1 gene polymorphisms with variant angina in Korean patients.
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- Clinical Chemistry & Laboratory Medicine, 2008, v. 46, n. 11, p. 1575, doi. 10.1515/CCLM.2008.313
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- Article
LigDockCSA: Protein-ligand docking using conformational space annealing.
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- Journal of Computational Chemistry, 2011, v. 32, n. 15, p. 3226, doi. 10.1002/jcc.21905
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- Article
Readout Integrated Circuit for Small-Sized and Low-Power Gas Sensor Based on HEMT Device.
- Published in:
- Sensors (14248220), 2021, v. 21, n. 16, p. 5637, doi. 10.3390/s21165637
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- Article
AK-Score: Accurate Protein-Ligand Binding Affinity Prediction Using an Ensemble of 3D-Convolutional Neural Networks.
- Published in:
- International Journal of Molecular Sciences, 2020, v. 21, n. 22, p. 8424, doi. 10.3390/ijms21228424
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- Article
Novel approach to coronary artery perforation repair.
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- Catheterization & Cardiovascular Interventions, 2019, v. 93, n. 2, p. E98, doi. 10.1002/ccd.27849
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- Article