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Synthesis, Physicochemical Studies, Molecular Dynamics Simulations, and Metal-Ion-Dependent Antiproliferative and Antiangiogenic Properties of Cone ICL670-Substituted Calix[4]arenes.
- Published in:
- ChemPlusChem, 2012, v. 77, n. 11, p. 1001, doi. 10.1002/cplu.201200141
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- Publication type:
- Article
A technique to study molecular recognition in drug design: Preliminary application of free energy derivatives to inhibition of a malarial cysteine protease.
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- Journal of Molecular Recognition, 1996, v. 9, n. 2, p. 103, doi. 10.1002/(SICI)1099-1352(199603)9:2<103::AID-JMR246>3.0.CO;2-A
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- Publication type:
- Article
Role of N-glycosylation in activation of proMMP-9. A molecular dynamics simulations study.
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- PLoS ONE, 2018, v. 13, n. 1, p. 1, doi. 10.1371/journal.pone.0191157
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- Publication type:
- Article
Allosteric transition and binding of small molecule effectors causes curvature change in central β-sheets of selected enzymes.
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- Journal of Molecular Modeling, 2011, v. 17, n. 4, p. 899, doi. 10.1007/s00894-010-0784-7
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- Publication type:
- Article
5,10-Methylene-5,6,7,8-tetrahydrofolate conformational transitions upon binding to thymidylate synthase: molecular mechanics and continuum solvent studies.
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- Journal of Computer-Aided Molecular Design, 2005, v. 19, n. 2, p. 123, doi. 10.1007/s10822-005-2998-9
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- Publication type:
- Article
CaspNeuroD: a knowledgebase of predicted caspase cleavage sites in human proteins related to neurodegenerative diseases.
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- Database: The Journal of Biological Databases & Curation, 2016, v. 2016, p. 1, doi. 10.1093/database/baw142
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- Publication type:
- Article
Interactions between motor domains in kinesin-14 Ncd — a molecular dynamics study.
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- Biochemical Journal, 2019, v. 476, n. 17, p. 2449, doi. 10.1042/BCJ20190484
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- Publication type:
- Article
The Rwandan genocide and the bestiality of representation in 100 Days (2001) and Shooting Dogs (2005).
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- Journal of African Cinemas, 2010, v. 2, n. 1, p. 49, doi. 10.1386/jac.2.1.49_1
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- Publication type:
- Article
On the use of electrostatic potential derived charges in molecular mechanics force fields. The relative solvation free energy of cis- and trans- N-methyl-acetamide.
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- Journal of Computational Chemistry, 1991, v. 12, n. 10, p. 1232, doi. 10.1002/jcc.540121010
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- Publication type:
- Article
Concerning Violence - Nine Scenes From the Anti-imperialistic Self-Defense (2014).
- Published in:
- 2017
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- Publication type:
- Film Review
Caspase Cleavage Sites in the Human Proteome: CaspDB, a Database of Predicted Substrates.
- Published in:
- PLoS ONE, 2014, v. 9, n. 10, p. 1, doi. 10.1371/journal.pone.0110539
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- Publication type:
- Article
High-Resolution Analysis and Functional Mapping of Cleavage Sites and Substrate Proteins of Furin in the Human Proteome.
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- PLoS ONE, 2013, v. 8, n. 1, p. 1, doi. 10.1371/journal.pone.0054290
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- Publication type:
- Article
New Details of HCV NS3/4A Proteinase Functionality Revealed by a High-Throughput Cleavage Assay.
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- PLoS ONE, 2012, v. 7, n. 4, p. 1, doi. 10.1371/journal.pone.0035759
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- Publication type:
- Article
Matrix Metalloproteinase Proteolysis of the Myelin Basic Protein Isoforms Is a Source of Immunogenic Peptides in Autoimmune Multiple Sclerosis.
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- PLoS ONE, 2009, v. 4, n. 3, p. 1, doi. 10.1371/journal.pone.0004952
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- Publication type:
- Article
Neglected N-Truncated Amyloid-β Peptide and Its Mixed Cu–Zn Complexes.
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- Protein Journal, 2022, v. 41, n. 3, p. 361, doi. 10.1007/s10930-022-10056-7
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- Publication type:
- Article
Dual function of Zika virus NS2B-NS3 protease.
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- PLoS Pathogens, 2023, v. 19, n. 11, p. 1, doi. 10.1371/journal.ppat.1011795
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- Publication type:
- Article
The Sorcerer II Global Ocean Sampling Expedition: Expanding the Universe of Protein Families.
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- PLoS Biology, 2007, v. 5, n. 3, p. 0432, doi. 10.1371/journal.pbio.0050016
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- Publication type:
- Article
Sequence-derived structural features driving proteolytic processing.
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- Proteomics, 2014, v. 14, n. 1, p. 42, doi. 10.1002/pmic.201300416
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- Publication type:
- Article
From Surviving to Living: Voice, Trauma and Witness in Rwandan Women's Writing. By Catherine Gilbert.
- Published in:
- 2019
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- Publication type:
- Book Review
Strike a balance: Optimization of backbone torsion parameters of AMBER polarizable force field for simulations of proteins and peptides.
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- Journal of Computational Chemistry, 2006, v. 27, n. 6, p. 781, doi. 10.1002/jcc.20386
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- Publication type:
- Article
A point-charge force field for molecular mechanics simulations of proteins based on condensed-phase quantum mechanical calculations.
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- Journal of Computational Chemistry, 2003, v. 24, n. 16, p. 1999
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- Publication type:
- Article
Theoretical calculation of the coiled-coil stability in water in the context of its possible use as a molecular rack.
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- Journal of Computational Chemistry, 2002, v. 23, n. 1, p. 106, doi. 10.1002/jcc.10020
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- Publication type:
- Article
Molecular mechanical models for organic and biological systems going beyond the atom centered two body additive approximation: aqueous solution free energies of methanol and N-methyl acetamide, nucleic acid base, and amide hydrogen bonding and chloroform/water partition coefficients of the nucleic acid bases
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- Journal of Computational Chemistry, 2001, v. 22, n. 10, p. 1048, doi. 10.1002/jcc.1065
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- Publication type:
- Article
How well does a restrained electrostatic potential (RESP) model perform in calculating conformational energies of organic and biological molecules?
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- Journal of Computational Chemistry, 2000, v. 21, n. 12, p. 1049, doi. 10.1002/1096-987X(200009)21:12<1049::AID-JCC3>3.0.CO;2-F
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- Publication type:
- Article
Application of the multimolecule and multiconformational RESP methodology to biopolymers: Charge derivation for DNA, RNA, and proteins.
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- Journal of Computational Chemistry, 1995, v. 16, n. 11, p. 1357, doi. 10.1002/jcc.540161106
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- Publication type:
- Article
A molecular mechanical model that reproduces the relative energies for chair and twist-boat conformations of 1,3-dioxanes.
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- Journal of Computational Chemistry, 1995, v. 16, n. 2, p. 243, doi. 10.1002/jcc.540160211
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- Publication type:
- Article
S-Nitrosylation of p62 Inhibits Autophagic Flux to Promote α-Synuclein Secretion and Spread in Parkinson's Disease and Lewy Body Dementia.
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- Journal of Neuroscience, 2022, v. 42, n. 14, p. 3011, doi. 10.1523/JNEUROSCI.1508-21.2022
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- Publication type:
- Article
R.E.D. Server: a web service for deriving RESP and ESP charges and building force field libraries for new molecules and molecular fragments.
- Published in:
- Nucleic Acids Research, 2011, v. 39, n. suppl_2, p. W511, doi. 10.1093/nar/gkr288
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- Publication type:
- Article
PMAP: databases for analyzing proteolytic events and pathways.
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- Nucleic Acids Research, 2009, v. 37, n. suppl_1, p. D611, doi. 10.1093/nar/gkn683
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- Publication type:
- Article
R.E.DD.B.: A database for RESP and ESP atomic charges, and force field libraries.
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- Nucleic Acids Research, 2008, v. 36, p. D360
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- Publication type:
- Article
Alternative African cinemas: a case study of Rwanda.
- Published in:
- Journal of African Media Studies, 2010, v. 2, n. 1, p. 73, doi. 10.1386/jams.2.1.73/1
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- Publication type:
- Article
Relative free energies of binding to thymidylate synthase of 2- and/or 4-thio and/or 5-fluoro analogues of dUMP.
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- Journal of Computer-Aided Molecular Design, 2003, v. 17, n. 10, p. 699, doi. 10.1023/B:JCAM.0000017377.07094.2e
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- Publication type:
- Article
Application of the quantum mechanics and free energy perturbation methods to study molecular processes.
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- International Journal of Quantum Chemistry, 1987, v. 32, p. 65, doi. 10.1002/qua.560320811
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- Publication type:
- Article
Effect of phosphorylation and single nucleotide polymorphisms on caspase substrates processing.
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- Apoptosis, 2018, v. 23, n. 3/4, p. 194, doi. 10.1007/s10495-018-1442-2
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- Article
Letter to the Editor: Caspase cleavage sites in the human proteome: CaspDB, a database of predicted substrates.
- Published in:
- 2015
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- Publication type:
- Letter
Free energy calculation on base specificity of drug - DNA interactions: Application to daunomycin and acridine intercalation into DNA.
- Published in:
- Biopolymers, 1990, v. 29, n. 4/5, p. 717, doi. 10.1002/bip.360290406
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- Publication type:
- Article
Correction: CleavPredict: A Platform for Reasoning about Matrix Metalloproteinases Proteolytic Events.
- Published in:
- PLoS ONE, 2015, v. 10, n. 6, p. 1, doi. 10.1371/journal.pone.0131952
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- Publication type:
- Article
CleavPredict: A Platform for Reasoning about Matrix Metalloproteinases Proteolytic Events.
- Published in:
- PLoS ONE, 2015, v. 10, n. 5, p. 1, doi. 10.1371/journal.pone.0127877
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- Publication type:
- Article
Amino acid sequence conservation of the algesic fragment of myelin basic protein is required for its interaction with CDK5 and function in pain.
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- FEBS Journal, 2018, v. 285, n. 18, p. 3485, doi. 10.1111/febs.14623
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- Article
Structural and functional diversity of metalloproteinases encoded by the Bacteroides fragilis pathogenicity island.
- Published in:
- 2014
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- Publication type:
- Editorial
Matrix metalloproteinase proteolysis of the mycobacterial HSP65 protein as a potential source of immunogenic peptides in human tuberculosis.
- Published in:
- FEBS Journal, 2011, v. 278, n. 18, p. 3277, doi. 10.1111/j.1742-4658.2011.08244.x
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- Publication type:
- Article
Quantitative profiling of protease specificity.
- Published in:
- PLoS Computational Biology, 2021, v. 17, n. 2, p. 1, doi. 10.1371/journal.pcbi.1008101
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- Publication type:
- Article