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In silico analysis of SARS-CoV-2 proteins as targets for clinically available drugs.
- Published in:
- Scientific Reports, 2022, v. 12, n. 1, p. 1, doi. 10.1038/s41598-022-08320-y
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- Publication type:
- Article
Case of the Month.
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- 2011
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- Publication type:
- Case Study
Serving the underserved.
- Published in:
- JAAPA: Journal of the American Academy of Physician Assistants (Haymarket Media, Inc.), 2010, v. 23, n. 11, p. 53, doi. 10.1097/01720610-201011000-00011
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- Publication type:
- Article
Carcinoma of unknown primary: Searching for the origin of metastases.
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- JAAPA: Journal of the American Academy of Physician Assistants (Haymarket Media, Inc.), 2009, v. 22, n. 8, p. 18, doi. 10.1097/01720610-200908000-00006
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- Publication type:
- Article
Sunsetting Binding MOAD with its last data update and the addition of 3D-ligand polypharmacology tools.
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- Scientific Reports, 2023, v. 13, n. 1, p. 1, doi. 10.1038/s41598-023-29996-w
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- Publication type:
- Article
Recent improvements to Binding MOAD: a resource for protein–ligand binding affinities and structures.
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- Nucleic Acids Research, 2015, v. 43, n. D1, p. D465, doi. 10.1093/nar/gku1088
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- Publication type:
- Article
Binding MOAD, a high-quality protein–ligand database.
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- Nucleic Acids Research, 2008, v. 36, p. D674
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- Publication type:
- Article
A phase II study to evaluate the efficacy and toxicity of oxaliplatin in combination with gemcitabine in carcinoma of unknown primary.
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- International Journal of Clinical Oncology, 2013, v. 18, n. 2, p. 226, doi. 10.1007/s10147-011-0366-4
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- Publication type:
- Article
Free energies of solvation in chloroform and water from a linear response approach.
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- Journal of Physical Organic Chemistry, 1997, v. 10, n. 7, p. 563, doi. 10.1002/(SICI)1099-1395(199707)10:7<563::AID-POC912>3.0.CO;2-0
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- Publication type:
- Article
Overcoming sequence misalignments with weighted structural superposition.
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- Proteins, 2012, v. 80, n. 11, p. 2523, doi. 10.1002/prot.24134
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- Publication type:
- Article
The role of tyrosine 71 in modulating the flap conformations of BACE1.
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- Proteins, 2011, v. 79, n. 7, p. 2247, doi. 10.1002/prot.23050
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- Publication type:
- Article
Binding to the open conformation of HIV-1 protease.
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- Proteins, 2011, v. 79, n. 7, p. 2282, doi. 10.1002/prot.23054
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- Publication type:
- Article
Computational methods for identifying a layered allosteric regulatory mechanism for ALS-causing mutations of Cu-Zn superoxide dismutase 1.
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- Proteins, 2011, v. 79, n. 2, p. 417, doi. 10.1002/prot.22892
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- Publication type:
- Article
Clarifying allosteric control of flap conformations in the 1TW7 crystal structure of HIV-1 protease.
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- Proteins, 2009, v. 74, n. 4, p. 872, doi. 10.1002/prot.22195
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- Publication type:
- Article
Binding MOAD (Mother Of All Databases).
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- Proteins, 2005, v. 60, n. 3, p. 333, doi. 10.1002/prot.20512
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- Publication type:
- Article
Solvation influences flap collapse in HIV-1 protease.
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- Proteins, 2005, v. 58, n. 1, p. 119, doi. 10.1002/prot.20274
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- Publication type:
- Article
Computational studies and peptidomimetic design for the human p53-MDM2 complex.
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- Proteins, 2005, v. 58, n. 1, p. 222, doi. 10.1002/prot.20275
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- Publication type:
- Article
Crowdsourced identification of multi-target kinase inhibitors for RET- and TAU- based disease: The Multi-Targeting Drug DREAM Challenge.
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- PLoS Computational Biology, 2021, v. 17, n. 9, p. 1, doi. 10.1371/journal.pcbi.1009302
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- Publication type:
- Article
Novel deletion of lysine 7 expands the clinical, histopathological and genetic spectrum of TPM2-related myopathies.
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- Brain: A Journal of Neurology, 2013, v. 136, n. 2, p. 508, doi. 10.1093/brain/aws344
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- Publication type:
- Article
Profiling the Cytochrome P450 2J2 Active Site.
- Published in:
- FASEB Journal, 2022, v. 36, p. N.PAG, doi. 10.1096/fasebj.2022.36.S1.R5384
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- Publication type:
- Article
A Virtual Docking Screen at 23 SARS‐CoV‐2 Proteins Identifies Drug Repurposing Candidates at New Sites and Targets.
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- FASEB Journal, 2021, v. 35, p. N.PAG, doi. 10.1096/fasebj.2021.35.S1.02606
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- Publication type:
- Article
Exploring the Composition of Protein-Ligand Binding Sites on a Large Scale.
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- PLoS Computational Biology, 2013, v. 9, n. 11, p. 1, doi. 10.1371/journal.pcbi.1003321
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- Publication type:
- Article
Identification of Key Hinge Residues Important for Nucleotide-Dependent Allostery in <i>E. coli</i> Hsp70/DnaK.
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- PLoS Computational Biology, 2013, v. 9, n. 11, p. 1, doi. 10.1371/journal.pcbi.1003279
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- Publication type:
- Article
Mixed‐solvent molecular dynamics simulation‐based discovery of a putative allosteric site on regulator of G protein signaling 4.
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- Journal of Computational Chemistry, 2021, v. 42, n. 30, p. 2170, doi. 10.1002/jcc.26747
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- Publication type:
- Article
Comparing pharmacophore models derived from crystallography and NMR ensembles.
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- Journal of Computer-Aided Molecular Design, 2017, v. 31, n. 11, p. 979, doi. 10.1007/s10822-017-0077-7
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- Publication type:
- Article
D3R grand challenge 2015: Evaluation of protein-ligand pose and affinity predictions.
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- Journal of Computer-Aided Molecular Design, 2016, v. 30, n. 9, p. 651, doi. 10.1007/s10822-016-9946-8
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- Publication type:
- Article
Automated clustering of probe molecules from solvent mapping of protein surfaces: new algorithms applied to hot-spot mapping and structure-based drug design.
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- Journal of Computer-Aided Molecular Design, 2008, v. 22, n. 10, p. 727, doi. 10.1007/s10822-008-9231-6
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- Publication type:
- Article
Predicting binding sites from unbound versus bound protein structures.
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- Scientific Reports, 2020, v. 10, n. 1, p. N.PAG, doi. 10.1038/s41598-020-72906-7
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- Publication type:
- Article
Protein flexibility in docking and surface mapping.
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- Quarterly Reviews of Biophysics, 2012, v. 45, n. 3, p. 301, doi. 10.1017/S0033583512000066
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- Publication type:
- Article
A poke in the eye: Inhibiting HIV-1 protease through its flap-recognition pocket.
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- Biopolymers, 2008, v. 89, n. 8, p. 643, doi. 10.1002/bip.20993
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- Article
Development of polyphosphate parameters for use with the AMBER force field.
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- Journal of Computational Chemistry, 2003, v. 24, n. 9, p. 1016
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- Publication type:
- Article
Molecular dynamics of cryptophane and its complexes with tetramethylammonium and neopentane using a continuum solvent model.
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- Journal of Computational Chemistry, 1999, v. 20, n. 9, p. 956, doi. 10.1002/(SICI)1096-987X(19990715)20:9<956::AID-JCC7>3.0.CO;2-R
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- Publication type:
- Article
Accuracy of free energies of hydration for organic molecules from 6-31g*-derived partial charges.
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- Journal of Computational Chemistry, 1993, v. 14, n. 10, p. 1240, doi. 10.1002/jcc.540141013
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- Publication type:
- Article
Communication Differences between Oncologists and Palliative Care Clinicians: A Qualitative Analysis of Early, Integrated Palliative Care in Patients with Advanced Cancer.
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- Journal of Palliative Medicine, 2019, v. 22, n. 1, p. 41, doi. 10.1089/jpm.2018.0092
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- Publication type:
- Article
College students with attention-deficit/hyperactivity disorder.
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- Current Psychiatry Reports, 2009, v. 11, n. 5, p. 415, doi. 10.1007/s11920-009-0062-5
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- Publication type:
- Article
UPDATING BINDING MOAD — DATA MANAGEMENT AND INFORMATION WORKFLOW.
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- New Mathematics & Natural Computation, 2010, v. 6, n. 1, p. 49, doi. 10.1142/S1793005710001608
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- Publication type:
- Article
Inherent versus induced protein flexibility: Comparisons within and between apo and holo structures.
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- PLoS Computational Biology, 2019, v. 15, n. 01, p. 1, doi. 10.1371/journal.pcbi.1006705
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- Publication type:
- Article
Identifying binding hot spots on protein surfaces by mixed-solvent molecular dynamics: HIV-1 protease as a test case.
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- Biopolymers, 2016, v. 105, n. 1, p. 21, doi. 10.1002/bip.22742
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- Publication type:
- Article
ChemTreeMap: an interactive map of biochemical similarity in molecular datasets.
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- Bioinformatics, 2016, v. 32, n. 23, p. 3584, doi. 10.1093/bioinformatics/btw523
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- Publication type:
- Article
Correction: Harris et al. Derivation of the Omega-3 Index from EPA and DHA Analysis of Dried Blood Spots from Dogs and Cats. Vet. Sci. 2023, 10 , 13.
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- 2023
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- Publication type:
- Correction Notice
Derivation of the Omega-3 Index from EPA and DHA Analysis of Dried Blood Spots from Dogs and Cats.
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- Veterinary Sciences, 2023, v. 10, n. 1, p. 13, doi. 10.3390/vetsci10010013
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- Publication type:
- Article
The 12-Minute Journey.
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- Narrative Inquiry in Bioethics, 2014, v. 4, n. 3, p. 192, doi. 10.1353/nib.2014.0060
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- Publication type:
- Article
Polycyclic Aromatic Hydrocarbons and Pancreatic Cancer: An Analysis of the Blood Biomarker, r -1, t -2,3, c -4-Tetrahydroxy-1,2,3,4-tetrahydrophenanthrene and Selected Metabolism Gene SNPs.
- Published in:
- Nutrients, 2024, v. 16, n. 5, p. 688, doi. 10.3390/nu16050688
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- Publication type:
- Article
Dynamic behavior of the post-SET loop region of NSD1: Implications for histone binding and drug development.
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- Protein Science: A Publication of the Protein Society, 2016, v. 25, n. 5, p. 1021, doi. 10.1002/pro.2912
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- Publication type:
- Article
Using Probabilistic Modeling to Evaluate Human Exposure to Organotin in Drinking Water Transported by Polyvinyl Chloride Pipe.
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- Risk Analysis: An International Journal, 2009, v. 29, n. 11, p. 1615, doi. 10.1111/j.1539-6924.2009.01307.x
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- Publication type:
- Article
A Probabilistic Framework for the Reference Dose (Probabilistic RfD).
- Published in:
- Risk Analysis: An International Journal, 1998, v. 18, n. 3, p. 271, doi. 10.1111/j.1539-6924.1998.tb01294.x
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- Publication type:
- Article
An Approach for Modeling Noncancer Dose Responses with an Emphasis on Uncertainty.
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- Risk Analysis: An International Journal, 1997, v. 17, n. 4, p. 427, doi. 10.1111/j.1539-6924.1997.tb00883.x
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- Publication type:
- Article
Are there physicochemical differences between allosteric and competitive ligands?
- Published in:
- PLoS Computational Biology, 2017, v. 13, n. 11, p. 1, doi. 10.1371/journal.pcbi.1005813
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- Publication type:
- Article