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Innentitelbild: Molecular Basis for Two Stereoselective Diels–Alderases that Produce Decalin Skeletons (Angew. Chem. 41/2021).
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- Angewandte Chemie, 2021, v. 133, n. 41, p. 22258, doi. 10.1002/ange.202109381
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Molecular Basis for Two Stereoselective Diels–Alderases that Produce Decalin Skeletons**.
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- Angewandte Chemie, 2021, v. 133, n. 41, p. 22575, doi. 10.1002/ange.202106186
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- Article
Exploring Large Domain Motions in Proteins Using Atomistic Molecular Dynamics with Enhanced Conformational Sampling.
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- International Journal of Molecular Sciences, 2021, v. 22, n. 1, p. 270, doi. 10.3390/ijms22010270
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Biomolecular interactions modulate macromolecular structure and dynamics in atomistic model of a bacterial cytoplasm.
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- eLife, 2016, p. 1, doi. 10.7554/eLife.19274
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- Article
Induction and activation of the aryl hydrocarbon receptor by IL-4 in B cells.
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- International Immunology, 2005, v. 17, n. 6, p. 797, doi. 10.1093/intimm/dxh260
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Molecular mechanisms for dynamic regulation of N1 riboswitch by aminoglycosides.
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- Nucleic Acids Research, 2018, v. 46, n. 19, p. 9960, doi. 10.1093/nar/gky833
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- Article
Reduced efficacy of a Src kinase inhibitor in crowded protein solution.
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- Nature Communications, 2021, v. 12, n. 1, p. 1, doi. 10.1038/s41467-021-24349-5
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- Article
Crystal structure of quinol-dependent nitric oxide reductase from Geobacillus stearothermophilus.
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- Nature Structural & Molecular Biology, 2012, v. 19, n. 2, p. 238, doi. 10.1038/nsmb.2213
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Dynamic Visualization of the Electric Potential in an All-Solid-State Rechargeable Lithium Battery.
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- Angewandte Chemie, 2010, v. 122, n. 26, p. 4516, doi. 10.1002/ange.200907319
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- Article
GENESIS CGDYN: large-scale coarse-grained MD simulation with dynamic load balancing for heterogeneous biomolecular systems.
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- Nature Communications, 2024, v. 15, n. 1, p. 1, doi. 10.1038/s41467-024-47654-1
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Hierarchical domain-motion analysis of conformational changes in sarcoplasmic reticulum Ca<sup>2+</sup>-ATPase.
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- Proteins, 2015, v. 83, n. 4, p. 746, doi. 10.1002/prot.24763
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Salt effects on hydrophobic-core formation in folding of a helical miniprotein studied by molecular dynamics simulations.
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- Proteins, 2014, v. 82, n. 6, p. 933, doi. 10.1002/prot.24467
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Free-energy function for discriminating the native fold of a protein from misfolded decoys.
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- Proteins, 2011, v. 79, n. 7, p. 2161, doi. 10.1002/prot.23036
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- Article
Free-energy function based on an all-atom model for proteins.
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- Proteins, 2009, v. 77, n. 4, p. 950, doi. 10.1002/prot.22520
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- Article
Cooperative folding mechanism of a β-hairpin peptide studied by a multicanonical replica-exchange molecular dynamics simulation.
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- Proteins, 2007, v. 66, n. 4, p. 846, doi. 10.1002/prot.21264
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- Article
Improved protein free energy calculation by more accurate treatment of nonbonded energy: Application to chymotrypsin inhibitor 2, V57A.
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- Proteins, 1998, v. 30, n. 4, p. 388, doi. 10.1002/(SICI)1097-0134(19980301)30:4<388::AID-PROT6>3.0.CO;2-F
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- Article
Crystal Structures of Ca<sup>2+</sup>-ATPase in Various Physiological States.
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- Annals of the New York Academy of Sciences, 2003, v. 986, n. 1, p. 1, doi. 10.1111/j.1749-6632.2003.tb07131.x
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- Article
The inherent flexibility of receptor binding domains in SARS- CoV-2 spike protein.
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- eLife, 2022, p. 1, doi. 10.7554/eLife.75720
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- Publication type:
- Article
Fabrication of Continuous-SiC-Fiber-Reinforced SiAlON-Based Ceramic Composites by Reactive Melt....
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- Journal of the American Ceramic Society, 2001, v. 84, n. 9, p. 1945, doi. 10.1111/j.1151-2916.2001.tb00941.x
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Confident identification of isomeric N-glycan structures by combined ion mobility mass spectrometry and hydrophilic interaction liquid chromatography.
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- Rapid Communications in Mass Spectrometry: RCM, 2012, v. 26, n. 24, p. 2877, doi. 10.1002/rcm.6412
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- Publication type:
- Article
Integrated prediction of one-dimensional structural features and their relationships with conformational flexibility in helical membraneproteins.
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- BMC Bioinformatics, 2010, v. 11, p. 533, doi. 10.1186/1471-2105-11-533
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- Publication type:
- Article
Implementation of residue-level coarse-grained models in GENESIS for large-scale molecular dynamics simulations.
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- PLoS Computational Biology, 2022, v. 18, n. 4, p. 1, doi. 10.1371/journal.pcbi.1009578
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- Article
Modified Protein-Water Interactions in CHARMM36m for Thermodynamics and Kinetics of Proteins in Dilute and Crowded Solutions.
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- Molecules, 2022, v. 27, n. 17, p. 5726, doi. 10.3390/molecules27175726
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- Article
Conformational transition of Sec machinery inferred from bacterial SecYE structures.
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- Nature, 2008, v. 455, n. 7215, p. 988, doi. 10.1038/nature07421
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- Article
How can free energy component analysis explain the difference in protein stability caused by amino acid substitutions? Effect of three hydrophobic mutations at the 56th residue on the stability of human lysozyme.
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- Protein Engineering, 2003, v. 16, n. 9, p. 665, doi. 10.1093/protein/gzg083
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- Article
REIN: Replica-exchange INterface for simulating protein dynamics and function.
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- International Journal of Quantum Chemistry, 2015, v. 115, n. 5, p. 325, doi. 10.1002/qua.24785
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Molecular Dynamics Simulations Reveal Proton Transfer Pathways in Cytochrome C-Dependent Nitric Oxide Reductase.
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- PLoS Computational Biology, 2012, v. 8, n. 8, p. 1, doi. 10.1371/journal.pcbi.1002674
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- Article
Inside Cover: Molecular Basis for Two Stereoselective Diels–Alderases that Produce Decalin Skeletons (Angew. Chem. Int. Ed. 41/2021).
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- Angewandte Chemie International Edition, 2021, v. 60, n. 41, p. 22086, doi. 10.1002/anie.202109381
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- Publication type:
- Article
Molecular Basis for Two Stereoselective Diels–Alderases that Produce Decalin Skeletons**.
- Published in:
- Angewandte Chemie International Edition, 2021, v. 60, n. 41, p. 22401, doi. 10.1002/anie.202106186
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- Publication type:
- Article
SPANA: Spatial decomposition analysis for cellular‐scale molecular dynamics simulations.
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- Journal of Computational Chemistry, 2024, v. 45, n. 8, p. 498, doi. 10.1002/jcc.27260
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- Article
Acceleration of generalized replica exchange with solute tempering simulations of large biological systems on massively parallel supercomputer.
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- Journal of Computational Chemistry, 2023, v. 44, n. 20, p. 1740, doi. 10.1002/jcc.27124
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- Article
New parallel computing algorithm of molecular dynamics for extremely huge scale biological systems.
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- Journal of Computational Chemistry, 2021, v. 42, n. 4, p. 231, doi. 10.1002/jcc.26450
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- Article
Folding Simulation of a Mini Protein with a Hydrophobic Core and α-helices.
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- Seibutsu Butsuri, 2012, v. 52, n. 1, p. 22, doi. 10.2142/biophys.52.022
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- Article
Building a macro-mixing dual‑basin Gō model using the Multistate Bennett Acceptance Ratio.
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- Biophysics & Physicobiology, 2019, v. 16, n. 1, p. 310, doi. 10.2142/biophysico.16.0_310
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- Article
GENESIS: a hybrid-parallel and multi-scale molecular dynamics simulator with enhanced sampling algorithms for biomolecular and cellular simulations.
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- WIREs: Computational Molecular Science, 2015, v. 5, n. 4, p. 310, doi. 10.1002/wcms.1220
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- Article
Micelle-like clusters in phase-separated Nanog condensates: A molecular simulation study.
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- PLoS Computational Biology, 2023, v. 19, n. 7, p. 1, doi. 10.1371/journal.pcbi.1011321
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- Publication type:
- Article
Development of hidden Markov modeling method for molecular orientations and structure estimation from high-speed atomic force microscopy time-series images.
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- PLoS Computational Biology, 2022, v. 18, n. 12, p. 1, doi. 10.1371/journal.pcbi.1010384
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- Article
Generalized-ensemble algorithms for molecular simulations of biopolymers.
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- Biopolymers, 2001, v. 60, n. 2, p. 96, doi. 10.1002/1097-0282(2001)60:2<96::AID-BIP1007>3.0.CO;2-F
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- Article
Structural basis of Sec-independent membrane protein insertion by YidC.
- Published in:
- Nature, 2014, v. 509, n. 7501, p. 516, doi. 10.1038/nature13167
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- Article
NR4A Orphan Nuclear Receptor Family in Peripheral Blood Eosinophils from Patients with Atopic Dermatitis and Apoptotic Eosinophils in vitro.
- Published in:
- International Archives of Allergy & Immunology, 2005, v. 137, p. 35, doi. 10.1159/000085430
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- Article
Expression of a Human SOCS Protein, HSOCP-1, in Peripheral Blood Eosinophils from Patients with Atopic Dermatitis.
- Published in:
- International Archives of Allergy & Immunology, 2004, v. 134, p. 2, doi. 10.1159/000077785
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- Publication type:
- Article
Analysis of Gene Expressions of T Cells from Children with Acute Exacerbations of Asthma.
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- International Archives of Allergy & Immunology, 2004, v. 134, n. 1, p. 29, doi. 10.1159/000077530
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- Publication type:
- Article
Gene Expression Analysis of Atopic Dermatitis-Like Skin Lesions Induced in NC/Nga Mice by Mite Antigen Stimulation under Specific Pathogen-Free Conditions.
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- International Archives of Allergy & Immunology, 2003, v. 132, n. 4, p. 355, doi. 10.1159/000074903
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- Article
Analysis of Highly Expressed Genes in Monocytes from Atopic Dermatitis Patients.
- Published in:
- International Archives of Allergy & Immunology, 2003, v. 132, n. 2, p. 156, doi. 10.1159/000073717
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- Publication type:
- Article
Analysis of Gene Expression in Peripheral Blood Eosinophils from Patients with Atopic Dermatitis by Differential Display.
- Published in:
- International Archives of Allergy & Immunology, 2003, v. 131, p. 26, doi. 10.1159/000070478
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- Publication type:
- Article
Identification of Highly Expressed Genes in Peripheral Blood T Cells from Patients with Atopic Dermatitis.
- Published in:
- International Archives of Allergy & Immunology, 2002, v. 129, n. 4, p. 327, doi. 10.1159/000067589
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- Publication type:
- Article
High-Density Oligonucleotide Array Analysis of mRNA Transcripts in Peripheral Blood Cells of Severe Atopic Dermatitis Patients.
- Published in:
- International Archives of Allergy & Immunology, 2002, v. 129, n. 1, p. 57, doi. 10.1159/000065174
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- Publication type:
- Article
Gene Expression Accompanied by Differentiation of Cord Blood-Derived CD34+ Cells to Eosinophils.
- Published in:
- International Archives of Allergy & Immunology, 2001, v. 125, p. 2, doi. 10.1159/000053843
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- Publication type:
- Article
Structures of a peptide fragment of β<sub>2</sub>-microglobulin studied by replica-exchange molecular dynamics simulations – Towards the understanding of the mechanism of amyloid formation
- Published in:
- FEBS Letters, 2005, v. 579, n. 24, p. 5425, doi. 10.1016/j.febslet.2005.08.068
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- Article
Upregulation of the transcript level of GTPase activating protein KIAA0603 in T cells from patients with atopic dermatitis
- Published in:
- FEBS Letters, 2004, v. 572, n. 1-3, p. 135, doi. 10.1016/j.febslet.2004.07.023
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