Found: 18
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Accurate protein-ligand binding free energy estimation using QM/MM on multi-conformers predicted from classical mining minima.
- Published in:
- Communications Chemistry, 2024, v. 7, n. 1, p. 1, doi. 10.1038/s42004-024-01328-7
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- Publication type:
- Article
Re-engineering the Immune Response to Metastatic Cancer: Antibody-Recruiting Small Molecules Targeting the Urokinase Receptor.
- Published in:
- Angewandte Chemie, 2016, v. 128, n. 11, p. 3706, doi. 10.1002/ange.201510866
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- Publication type:
- Article
Re-engineering the Immune Response to Metastatic Cancer: Antibody-Recruiting Small Molecules Targeting the Urokinase Receptor.
- Published in:
- Angewandte Chemie International Edition, 2016, v. 55, n. 11, p. 3642, doi. 10.1002/anie.201510866
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- Publication type:
- Article
Carbon Fibers: Origin and Control of Polyacrylonitrile Alignments on Carbon Nanotubes and Graphene Nanoribbons (Adv. Funct. Mater. 15/2018).
- Published in:
- 2018
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- Cover Art
Origin and Control of Polyacrylonitrile Alignments on Carbon Nanotubes and Graphene Nanoribbons.
- Published in:
- Advanced Functional Materials, 2018, v. 28, n. 15, p. 1, doi. 10.1002/adfm.201706970
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- Publication type:
- Article
Investigation of the effect of erythrosine B on amyloid beta peptide using molecular modeling.
- Published in:
- Journal of Molecular Modeling, 2016, v. 22, n. 4, p. 1, doi. 10.1007/s00894-016-2960-x
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- Article
The role of water molecules in stereoselectivity of glucose/galactose-binding protein.
- Published in:
- Scientific Reports, 2016, p. 36807, doi. 10.1038/srep36807
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- Publication type:
- Article
Variation in structure of proteins by adjusting reactive oxygen and nitrogen species generated from dielectric barrier discharge jet.
- Published in:
- Scientific Reports, 2016, p. 35883, doi. 10.1038/srep35883
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- Publication type:
- Article
Influence of ionic liquid and ionic salt on protein against the reactive species generated using dielectric barrier discharge plasma.
- Published in:
- Scientific Reports, 2015, p. 17781, doi. 10.1038/srep17781
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- Publication type:
- Article
Crystal Structure of Dimeric Human Peroxiredoxin-1 C83S Mutant.
- Published in:
- Bulletin of the Korean Chemical Society, 2015, v. 36, n. 5, p. 1543, doi. 10.1002/bkcs.10284
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- Publication type:
- Article
Englerin A-sensing charged residues for transient receptor potential canonical 5 channel activation.
- Published in:
- Korean Journal of Physiology & Pharmacology, 2019, v. 23, n. 3, p. 191, doi. 10.4196/kjpp.2019.23.3.191
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- Publication type:
- Article
QM/MM based 3D QSAR models for potent B-Raf inhibitors.
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- Journal of Computer-Aided Molecular Design, 2010, v. 24, n. 5, p. 385, doi. 10.1007/s10822-010-9337-5
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- Publication type:
- Article
Extension of QM/MM docking and its applications to metalloproteins.
- Published in:
- Journal of Computational Chemistry, 2009, v. 30, n. 16, p. 2609, doi. 10.1002/jcc.21270
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- Publication type:
- Article
Integrated Modeling Program, Applied Chemical Theory (IMPACT).
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- Journal of Computational Chemistry, 2005, v. 26, n. 16, p. 1752, doi. 10.1002/jcc.20292
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- Publication type:
- Article
Importance of accurate charges in molecular docking: Quantum mechanical/molecular mechanical (QM/MM) approach.
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- Journal of Computational Chemistry, 2005, v. 26, n. 9, p. 915, doi. 10.1002/jcc.20222
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- Publication type:
- Article
The MPSim-Dock hierarchical docking algorithm: Application to the eight trypsin inhibitor cocrystals.
- Published in:
- Journal of Computational Chemistry, 2005, v. 26, n. 1, p. 48, doi. 10.1002/jcc.20118
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- Publication type:
- Article
Exploring the Ligand Efficacy of Cannabinoid Receptor 1 (CB1) using Molecular Dynamics Simulations.
- Published in:
- Scientific Reports, 2018, v. 8, n. 1, p. 1, doi. 10.1038/s41598-018-31749-z
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- Publication type:
- Article
Ginsenoside Rd Inhibits the Metastasis of Colorectal Cancer via Epidermal Growth Factor Receptor Signaling Axis.
- Published in:
- IUBMB Life, 2019, v. 71, n. 5, p. 601, doi. 10.1002/iub.1984
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- Publication type:
- Article