| Nome |
# |
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A database of force-field parameters, dynamics, and properties of antimicrobial compounds, file e2f56ed3-f279-3eaf-e053-3a05fe0a5d97
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1.427
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Extracting conformational ensembles of small molecules from molecular dynamics simulations: ampicillin as a test case, file e2f56ed4-d2b0-3eaf-e053-3a05fe0a5d97
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932
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Electronic laboratory notebooks in a public-private partnership, file e2f56ed6-fb5c-3eaf-e053-3a05fe0a5d97
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566
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Molecular interactions of carbapenem antibiotics with the multidrug efflux transporter acrb of escherichia coli, file e2f56ed8-fd3b-3eaf-e053-3a05fe0a5d97
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373
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Time-Dependent Density Functional Theory Investigation on the Electronic and Optical Properties of Poly-C,Si,Ge-acenes, file e2f56ed9-9057-3eaf-e053-3a05fe0a5d97
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291
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Electronic and Optical Properties of Small Metal Fluoride Clusters, file e2f56ed9-8fe9-3eaf-e053-3a05fe0a5d97
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278
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Ag/In lead‐free double perovskites, file e2f56ed9-7d34-3eaf-e053-3a05fe0a5d97
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273
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Opto-Electronic properties of BN-ring insertions in Circumacenes: the case of Coronene and Ovalene, file e2f56ed8-923f-3eaf-e053-3a05fe0a5d97
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115
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Impact of synthetic conditions on the anisotropic thermal conductivity of poly(3,4-ethylenedioxythiophene) (PEDOT): A molecular dynamics investigation, file e2f56ed9-de0e-3eaf-e053-3a05fe0a5d97
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106
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Impact of corpus callosum integrity on functional interhemispheric connectivity and cognition in healthy subjects, file 2e1ffcad-51e3-4bbd-8c5f-1429d79e0630
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36
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Permeation of β-Lactamase Inhibitors through the General Porins of Gram-Negative Bacteria, file e2f56ed9-56fc-3eaf-e053-3a05fe0a5d97
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35
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Common recognition topology of mex transporters of Pseudomonas aeruginosa revealed by molecular modelling, file db017c75-177e-4a2d-9aca-06ad57c86529
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29
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Molecular determinants of avoidance and inhibition of Pseudomonas aeruginosa MexB efflux pump, file 33965bbf-19d2-43a6-8f4a-0c09dce529ba
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16
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AB-DB: Force-Field parameters, MD trajectories, QM-based data, and Descriptors of Antimicrobials, file e2f56eda-af1c-3eaf-e053-3a05fe0a5d97
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15
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Theoretical insight on PTB7:PC71BM, PTB7-th:PC71BM and Si-PCPDTBT:PC71BM interactions governing blend nanoscale morphology for efficient solar cells, file e2f56eda-047f-3eaf-e053-3a05fe0a5d97
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11
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Molecular Insights Into Binding and Activation of the Human KCNQ2 Channel by Retigabine, file e2f56eda-5acd-3eaf-e053-3a05fe0a5d97
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10
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Geometric effects in the infinite-layer nickelates, file bed321aa-4bc0-46b4-bb71-2ed6754bbfbc
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9
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Molecular simulations of SSTR2 dynamics and interaction with ligands, file 6c6b0a5f-b229-4a8f-afc7-6584fd7c1c9b
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8
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Impact of corpus callosum integrity on functional interhemispheric connectivity and cognition in healthy subjects, file 74be4ceb-594e-46de-b9c8-e0ca0acbb266
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8
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Recognition of quinolone antibiotics by the multidrug efflux transporter MexB of Pseudomonas aeruginosa, file e534f81a-96bd-43d9-a6f4-debbd25d435e
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8
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Ultra-thin magnetic film with giant phonon-drag for heat to spin current conversion, file 9a087e11-8530-4410-9f2f-017fc2d87e5b
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7
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Ionicity and relaxation anomalies at III-V nitride surfaces, file e2f56ed3-b216-3eaf-e053-3a05fe0a5d97
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7
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Molecular Interactions of Cephalosporins with the Deep Binding Pocket of the RND Transporter AcrB, file e2f56ed8-ba2e-3eaf-e053-3a05fe0a5d97
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7
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Interaction of Radiopharmaceuticals with Somatostatin Receptor 2 Revealed by Molecular Dynamics Simulations, file aade7bb0-014c-4095-a866-7558fd574114
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5
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Computational investigation of the effects of perfluorination on the charge-transport properties of polyaromatic hydrocarbons, file e2f56ed6-44f6-3eaf-e053-3a05fe0a5d97
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5
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A SOA-based environment supporting collaborative experiments in E-science, file e2f56ed8-02f9-3eaf-e053-3a05fe0a5d97
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5
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Molecular basis for the different interactions of congeneric substrates with the polyspecific transporter AcrB, file e2f56ed8-67eb-3eaf-e053-3a05fe0a5d97
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4
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null, file e2f56ed3-85b5-3eaf-e053-3a05fe0a5d97
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3
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A SOA-based environment supporting collaborative experiments in e-Science, file e2f56ed3-aa37-3eaf-e053-3a05fe0a5d97
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3
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Extending the SOA paradigm to e-Science environments, file e2f56ed3-b422-3eaf-e053-3a05fe0a5d97
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3
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Extending the SOA paradigm to e-Science environments, file e2f56ed3-b423-3eaf-e053-3a05fe0a5d97
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3
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Extending the SOA paradigm to e-Science environments, file e2f56ed3-b424-3eaf-e053-3a05fe0a5d97
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3
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Electronic and optical properties of functionalized polyaromatic hydrocarbons: a computational investigation on perfluorinated circumacenes, file e2f56ed5-152c-3eaf-e053-3a05fe0a5d97
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3
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Thermodynamic models of the adsorption and desorption of molecular oxygen at the UV and blue emitting centers in mesoporous
silica under variable oxygen pressure, file e2f56ed6-74c7-3eaf-e053-3a05fe0a5d97
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2
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The mechanism and energetics of a ligand-controlled hydrophobic gate in a mammalian two pore channel, file e2f56ed8-e59c-3eaf-e053-3a05fe0a5d97
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2
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Efficient thermoelectricity in Sr2Nb2 O7 with energy-dependent relaxation times, file e2f56ed9-5d9c-3eaf-e053-3a05fe0a5d97
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2
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Engineering Knowledge Discovery in Network Intrusion Detection, file e2f56ed3-810a-3eaf-e053-3a05fe0a5d97
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1
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The Future of Portals in E-Science, file e2f56ed3-87b0-3eaf-e053-3a05fe0a5d97
|
1
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Capturing Heuristics and Intelligent Methods for Improving Micro-array Data Classification, file e2f56ed3-88ba-3eaf-e053-3a05fe0a5d97
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1
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Relaxations at GaN (1010) and (110) Surfaces, file e2f56ed3-9643-3eaf-e053-3a05fe0a5d97
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1
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ALBA Cooperative Environment for Scientific Experiments, file e2f56ed3-aa1e-3eaf-e053-3a05fe0a5d97
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1
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Learning Classifiers for High-Dimensional Micro-array Data, file e2f56ed3-b74a-3eaf-e053-3a05fe0a5d97
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1
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Learning Classifiers for High-Dimensional Micro-array Data, file e2f56ed3-b74b-3eaf-e053-3a05fe0a5d97
|
1
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null, file e2f56ed3-c148-3eaf-e053-3a05fe0a5d97
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1
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Intelligent Bayesian Classifiers in Network Intrusion Detection, file e2f56ed3-d0de-3eaf-e053-3a05fe0a5d97
|
1
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High-Dimensional Micro-array Data Classification Using Minimum Description Length and Domain Expert Knowledge, file e2f56ed3-db12-3eaf-e053-3a05fe0a5d97
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1
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A Cost-Sensitive Approach to Feature Selection in Micro-Array Data Classification, file e2f56ed3-db2e-3eaf-e053-3a05fe0a5d97
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1
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Donuts and Spin Vortices at the Fermi Surfaces of Hybrid LeadIodide CH3NH3PbI3 Perovskites, file e2f56ed7-fbe6-3eaf-e053-3a05fe0a5d97
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1
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Interplay between synthetic conditions and micromorphology in poly (3, 4-ethylenedioxythiophene): tosylate (PEDOT: Tos): an atomistic investigation, file e2f56ed8-aac4-3eaf-e053-3a05fe0a5d97
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1
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Evidence of nodal superconductivity in LaFeSiH, file e2f56ed9-4be3-3eaf-e053-3a05fe0a5d97
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1
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Fundamentals of tin iodide perovskites: A promising route to highly efficient, lead-free solar cells, file e2f56eda-6d0c-3eaf-e053-3a05fe0a5d97
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1
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Giant spin-dependent Seebeck effect from fully spin-polarized carriers in n-doped EuTiO3: a prototype material for spin-caloritronic applications, file f8252530-d034-4511-b617-6f3564388df4
|
1
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| Totale |
4.626 |