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Synthesis, Kinetics and Computational Explorations of 4‐Phenylpiperazine Bearing N‐(Aryl)‐3‐substituted‐benzamides as Auspicious Tyrosinase Inhibitors.
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- Chemistry & Biodiversity, 2024, v. 21, n. 4, p. 1, doi. 10.1002/cbdv.202400133
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- Article
Synthesis and discovery of potential tyrosinase inhibitor of new coumarin‐based thiophenyl‐pyrazolylthiazole nuclei: In vitro evaluation, cytotoxicity, kinetic, and computational studies.
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- Chemical Biology & Drug Design, 2023, v. 101, n. 6, p. 1262, doi. 10.1111/cbdd.14209
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- Article
Investigation of Flavonoid Scaffolds as DAX1 Inhibitors against Ewing Sarcoma through Pharmacoinformatic and Dynamic Simulation Studies.
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- International Journal of Molecular Sciences, 2023, v. 24, n. 11, p. 9332, doi. 10.3390/ijms24119332
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- Article
Therapeutic Implications of microRNAs in Depressive Disorders: A Review.
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- International Journal of Molecular Sciences, 2022, v. 23, n. 21, p. 13530, doi. 10.3390/ijms232113530
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- Article
Potent Alkaline Phosphatase Inhibitors, Pyrazolo-Oxothiazolidines: Synthesis, Biological Evaluation, Molecular Docking, and Kinetic Studies.
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- International Journal of Molecular Sciences, 2022, v. 23, n. 21, p. 13262, doi. 10.3390/ijms232113262
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- Article
Addressing Noise and Estimating Uncertainty in Biomedical Data through the Exploration of Chemical Space.
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- International Journal of Molecular Sciences, 2022, v. 23, n. 21, p. 12975, doi. 10.3390/ijms232112975
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- Article
Hematopoietic Stem and Progenitor Cells (HSPCs) and Hematopoietic Microenvironment: Molecular and Bioinformatic Studies of the Zebrafish Models.
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- International Journal of Molecular Sciences, 2022, v. 23, n. 13, p. 7285, doi. 10.3390/ijms23137285
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- Article
Innovations in Genomics and Big Data Analytics for Personalized Medicine and Health Care: A Review.
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- International Journal of Molecular Sciences, 2022, v. 23, n. 9, p. 4645, doi. 10.3390/ijms23094645
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- Article
Molecular Dynamics Simulations of a Catalytic Multivalent Peptide–Nanoparticle Complex.
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- International Journal of Molecular Sciences, 2021, v. 22, n. 7, p. 3624, doi. 10.3390/ijms22073624
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- Article
Computational Modulation of the V3 Region of Glycoprotein gp125 of HIV-2.
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- International Journal of Molecular Sciences, 2021, v. 22, n. 4, p. 1948, doi. 10.3390/ijms22041948
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- Article
In Silico Investigation of the New UK (B.1.1.7) and South African (501Y.V2) SARS-CoV-2 Variants with a Focus at the ACE2–Spike RBD Interface.
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- International Journal of Molecular Sciences, 2021, v. 22, n. 4, p. 1695, doi. 10.3390/ijms22041695
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- Article
Robust Sampling of Defective Pathways in Alzheimer's Disease. Implications in Drug Repositioning.
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- International Journal of Molecular Sciences, 2020, v. 21, n. 10, p. 3594, doi. 10.3390/ijms21103594
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- Article
Robust Sampling of Defective Pathways in Multiple Myeloma.
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- International Journal of Molecular Sciences, 2019, v. 20, n. 19, p. 4681, doi. 10.3390/ijms20194681
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- Article
Modeling of Protein Structural Flexibility and Large-Scale Dynamics: Coarse-Grained Simulations and Elastic Network Models.
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- International Journal of Molecular Sciences, 2018, v. 19, n. 11, p. 3496, doi. 10.3390/ijms19113496
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- Article
Structural interpretation of protein-protein interaction network.
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- BMC Structural Biology, 2010, v. 10, p. 1, doi. 10.1186/1472-6807-10-S1-S4
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- Article
Protein secondary structure prediction using a small training set (compact model) combined with a Complex-valued neural network approach.
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- BMC Bioinformatics, 2016, v. 17, p. 1, doi. 10.1186/s12859-016-1209-0
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- Article
Fold-specific sequence scoring improves protein sequence matching.
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- BMC Bioinformatics, 2016, v. 17, p. 1, doi. 10.1186/s12859-016-1198-z
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- Article
Rapid discrimination between deleterious and benign missense mutations in the CAGI 6 experiment.
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- Human Genomics, 2024, v. 18, n. 1, p. 1, doi. 10.1186/s40246-024-00655-z
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- Article
Small-Angle Neutron Scattering from Elastomeric Networks in which the Junctions Alternate Regularly in their Functionality.
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- Macromolecular Theory & Simulations, 2009, v. 18, n. 9, p. 537, doi. 10.1002/mats.200900041
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- Article
A simple derivation of the exponent γ for Gaussian chains with excluded volume.
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- Macromolecular Theory & Simulations, 1995, v. 4, n. 2, p. 245, doi. 10.1002/mats.1995.040040202
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- Article
Sulfatase 2 Is Associated with Steroid Resistance in Childhood Nephrotic Syndrome.
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- Journal of Clinical Medicine, 2021, v. 10, n. 3, p. 523, doi. 10.3390/jcm10030523
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- Article
Predicting protein tertiary structure and its uncertainty analysis via particle swarm sampling.
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- Journal of Molecular Modeling, 2019, v. 25, n. 3, p. N.PAG, doi. 10.1007/s00894-019-3956-0
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- Article
Homozygous Mutations in GDAP1 and MFN2 Genes Resulted in Autosomal Recessive Forms of Charcot–Marie–Tooth Disease in Consanguineous Pakistani Families.
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- DNA & Cell Biology, 2023, v. 42, n. 11, p. 697, doi. 10.1089/dna.2023.0169
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- Article
<i>In Silico</i> Modeling of Human α<sub>2C</sub>-Adrenoreceptor Interaction with Filamin-2.
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- PLoS ONE, 2014, v. 9, n. 8, p. 1, doi. 10.1371/journal.pone.0103099
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- Article
MQAPsingle: A quasi single-model approach for estimation of the quality of individual protein structure models.
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- Proteins, 2016, v. 84, n. 8, p. 1021, doi. 10.1002/prot.24787
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- Article
Accurate single-sequence prediction of solvent accessible surface area using local and global features.
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- Proteins, 2014, v. 82, n. 11, p. 3170, doi. 10.1002/prot.24682
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- Article
Multibody coarse-grained potentials for native structure recognition and quality assessment of protein models.
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- Proteins, 2014, v. 82, n. 7, p. 1549, doi. 10.1002/prot.24578
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- Article
A global machine learning based scoring function for protein structure prediction.
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- Proteins, 2014, v. 82, n. 5, p. 752, doi. 10.1002/prot.24454
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- Article
How noise in force fields can affect the structural refinement of protein models?
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- Proteins, 2012, v. 80, n. 2, p. 335, doi. 10.1002/prot.23240
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- Article
Multibody coarse-grained potentials for native structure recognition and quality assessment of protein models.
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- Proteins, 2011, v. 79, n. 6, p. 1923, doi. 10.1002/prot.23015
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- Article
The energy profiles of atomic conformational transition intermediates of adenylate kinase.
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- Proteins, 2009, v. 77, n. 3, p. 551, doi. 10.1002/prot.22467
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- Article
Orientational distributions of contact clusters in proteins closely resemble those of an icosahedron.
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- Proteins, 2008, v. 73, n. 3, p. 730, doi. 10.1002/prot.22092
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- Article
Predicting the order in which contacts are broken during single molecule protein stretching experiments.
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- Proteins, 2008, v. 71, n. 1, p. 45, doi. 10.1002/prot.21652
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- Article
Ideal amino acid exchange forms for approximating substitution matrices.
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- Proteins, 2007, v. 69, n. 2, p. 379, doi. 10.1002/prot.21509
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- Article
Four-body contact potentials derived from two protein datasets to discriminate native structures from decoys.
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- Proteins, 2007, v. 68, n. 1, p. 57, doi. 10.1002/prot.21362
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- Article
Inferring ideal amino acid interaction forms from statistical protein contact potentials.
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- Proteins, 2005, v. 59, n. 1, p. 49, doi. 10.1002/prot.20380
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- Article
The origin and extent of coarse-grained regularities in protein internal packing.
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- Proteins, 2003, v. 53, n. 1, p. 56, doi. 10.1002/prot.10435
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- Article
Three Mathematical Models for COVID-19 Prediction.
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- Mathematics (2227-7390), 2023, v. 11, n. 3, p. 506, doi. 10.3390/math11030506
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- Article
Exploration of microRNAs as transcriptional regulator in mumps virus infection through computational studies.
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- Scientific Reports, 2024, v. 14, n. 1, p. 1, doi. 10.1038/s41598-024-67717-z
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- Article
Robust Prediction of Single and Multiple Point Protein Mutations Stability Changes.
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- Biomolecules (2218-273X), 2020, v. 10, n. 1, p. 1, doi. 10.3390/biom10010067
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- Article
Multi-class BCGA-ELM based classifier that identifies biomarkers associated with hallmarks of cancer.
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- BMC Bioinformatics, 2015, v. 16, n. 1, p. 1, doi. 10.1186/s12859-015-0565-5
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- Article
BioShell-Threading: versatile Monte Carlo package for protein 3D threading.
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- BMC Bioinformatics, 2014, v. 15, n. 1, p. 2, doi. 10.1186/1471-2105-15-22
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- Article
MAVENs: Motion analysis and visualization of elastic networks and structural ensembles.
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- 2011
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- Publication type:
- Product Review
Potentials 'R'Us web-server for protein energy estimations with coarse-grained knowledge-based potentials.
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- BMC Bioinformatics, 2010, v. 11, p. 92, doi. 10.1186/1471-2105-11-92
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- Article
Predicting binding sites of hydrolase-inhibitor complexes by combining several methods.
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- BMC Bioinformatics, 2004, v. 5, p. 205, doi. 10.1186/1471-2105-5-205
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- Article
Exploration of Flavonoids as Lead Compounds against Ewing Sarcoma through Molecular Docking, Pharmacogenomics Analysis, and Molecular Dynamics Simulations.
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- Molecules, 2023, v. 28, n. 1, p. 414, doi. 10.3390/molecules28010414
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- Publication type:
- Article
Tyrosinase Inhibitors Naturally Present in Plants and Synthetic Modifications of These Natural Products as Anti-Melanogenic Agents: A Review.
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- Molecules, 2023, v. 28, n. 1, p. 378, doi. 10.3390/molecules28010378
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- Article
Biological and Cheminformatics Studies of Newly Designed Triazole Based Derivatives as Potent Inhibitors against Mushroom Tyrosinase.
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- Molecules, 2022, v. 27, n. 5, p. 1, doi. 10.3390/molecules27051731
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- Article
Monte Carlo Simulations on Nanoparticles in Elastomers. Effects of the Particles on the Dimensions of the Polymer Chains and the Mechanical Properties of the Networks.
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- Macromolecular Symposia, 2007, v. 256, n. 1, p. 40, doi. 10.1002/masy.200751004
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- Article
Mechanistic insights into TNFR1/MADD death domains in Alzheimer's disease through conformational molecular dynamic analysis.
- Published in:
- Scientific Reports, 2021, v. 11, n. 1, p. 1, doi. 10.1038/s41598-021-91606-4
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- Publication type:
- Article