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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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- 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
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
Entropy, Fluctuations, and Disordered Proteins.
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- Entropy, 2019, v. 21, n. 8, p. 764, doi. 10.3390/e21080764
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- Article
Novel 3,5‐Dimethylpyrazole‐Linked 1,2,4‐Triazole‐3‐thiols as Potent Antihyperglycemic Agents: Synthesis, Biological Evaluation, and In Silico Molecular Modelling Investigations.
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- ChemistrySelect, 2024, v. 9, n. 37, p. 1, doi. 10.1002/slct.202403661
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- Publication type:
- 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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- Publication type:
- 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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- Publication type:
- 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
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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- Publication type:
- Article
Principal component analysis in protein tertiary structure prediction.
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- Journal of Bioinformatics & Computational Biology, 2018, v. 16, n. 2, p. -1, doi. 10.1142/S0219720018500051
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- Publication type:
- Article
P.R.E.S.S. - AN R-PACKAGE FOR EXPLORING RESIDUAL-LEVEL PROTEIN STRUCTURAL STATISTICS.
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- Journal of Bioinformatics & Computational Biology, 2012, v. 10, n. 3, p. 1242007-1, doi. 10.1142/S0219720012420073
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- Publication type:
- 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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- Publication type:
- Article
Consensus Data Mining (CDM) Protein Secondary Structure Prediction Server: Combining GOR V and Fragment Database Mining (FDM).
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- Bioinformatics, 2007, v. 23, n. 19, p. 2628, doi. 10.1093/bioinformatics/btm379
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- Publication type:
- Article
GOR V server for protein secondary structure prediction.
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- Bioinformatics, 2005, v. 21, n. 11, p. 2787, doi. 10.1093/bioinformatics/bti408
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- Publication type:
- Article
Oriented Gelatin—A New Source for High-Performance Materials.
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- Journal of Macromolecular Science: Pure & Applied Chemistry, 1996, v. 33, n. 5, p. 525, doi. 10.1080/10601329608010876
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- Publication type:
- Article
Evolution of the Deformation‐ and Flow‐Induced Crystallization and Characterization of the Microstructure of a Single Spherulite, Lamella, and Chain of Isotactic Polypropylene.
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- Macromolecular Chemistry & Physics, 2024, v. 225, n. 2, p. 1, doi. 10.1002/macp.202300203
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- Publication type:
- Article
Molecular Role of Protein Phosphatases in Alzheimer's and Other Neurodegenerative Diseases.
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- Biomedicines, 2024, v. 12, n. 5, p. 1097, doi. 10.3390/biomedicines12051097
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- Publication type:
- Article
DescribePROT in 2023: more, higher-quality and experimental annotations and improved data download options.
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- Nucleic Acids Research, 2024, v. 52, n. D1, p. D426, doi. 10.1093/nar/gkad985
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- Publication type:
- Article
DescribePROT: database of amino acid-level protein structure and function predictions.
- Published in:
- Nucleic Acids Research, 2021, v. 49, n. D1, p. D298, doi. 10.1093/nar/gkaa931
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- Article
<i>In Silico</i> Modeling of Human α<sub>2C</sub>-Adrenoreceptor Interaction with Filamin-2.
- Published in:
- PLoS ONE, 2014, v. 9, n. 8, p. 1, doi. 10.1371/journal.pone.0103099
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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
Exploration of Flavonoids as Lead Compounds against Ewing Sarcoma through Molecular Docking, Pharmacogenomics Analysis, and Molecular Dynamics Simulations.
- Published in:
- 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.
- Published in:
- Molecules, 2023, v. 28, n. 1, p. 378, doi. 10.3390/molecules28010378
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- Publication type:
- Article
Biological and Cheminformatics Studies of Newly Designed Triazole Based Derivatives as Potent Inhibitors against Mushroom Tyrosinase.
- Published in:
- Molecules, 2022, v. 27, n. 5, p. 1, doi. 10.3390/molecules27051731
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- Article
Prediction of Protein Tertiary Structure via Regularized Template Classification Techniques.
- Published in:
- Molecules, 2020, v. 25, n. 11, p. 2467, doi. 10.3390/molecules25112467
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- Article
Role of Resultant Dipole Moment in Mechanical Dissociation of Biological Complexes.
- Published in:
- Molecules, 2018, v. 23, n. 8, p. 1995, doi. 10.3390/molecules23081995
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- Publication type:
- 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
On the tricritical points in the McMillan model of liquid crystals†.
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- Molecular Physics, 1985, v. 55, n. 6, p. 1223, doi. 10.1080/00268978500101991
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- Article
A molecular model for the smectic A phase†.
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- Molecular Physics, 1985, v. 55, n. 3, p. 689, doi. 10.1080/00268978500101641
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- Publication type:
- Article
On the mean spherical model for liquid crystals†.
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- Molecular Physics, 1982, v. 46, n. 1, p. 13, doi. 10.1080/00268978200101031
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- Article
On the stability of the isotropic phase towards nematic and smectic A formation†.
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- Molecular Physics, 1981, v. 42, n. 1, p. 51, doi. 10.1080/00268978100100041
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- Publication type:
- 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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- Publication type:
- Article
BioShell-Threading: versatile Monte Carlo package for protein 3D threading.
- Published in:
- 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.
- Published in:
- BMC Bioinformatics, 2010, v. 11, p. 92, doi. 10.1186/1471-2105-11-92
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- Publication type:
- Article
Predicting binding sites of hydrolase-inhibitor complexes by combining several methods.
- Published in:
- BMC Bioinformatics, 2004, v. 5, p. 205, doi. 10.1186/1471-2105-5-205
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- Publication type:
- Article