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Dynamic Visualization of the Electric Potential in an All-Solid-State Rechargeable Lithium Battery.
- Published in:
- Angewandte Chemie International Edition, 2010, v. 49, n. 26, p. 4414, doi. 10.1002/anie.200907319
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- Publication type:
- 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
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
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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- 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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- Publication type:
- 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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- Publication type:
- Article
Integrated prediction of one-dimensional structural features and their relationships with conformational flexibility in helical membraneproteins.
- Published in:
- 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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- Publication type:
- 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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- Publication type:
- Article
Conformational transition of Sec machinery inferred from bacterial SecYE structures.
- Published in:
- Nature, 2008, v. 455, n. 7215, p. 988, doi. 10.1038/nature07421
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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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- Publication type:
- Article
Rational design of crystal contact-free space in protein crystals for analyzing spatial distribution of motions within protein molecules.
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- Protein Science: A Publication of the Protein Society, 2016, v. 25, n. 3, p. 754, doi. 10.1002/pro.2867
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- Publication type:
- 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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- Article
Biomolecular interactions modulate macromolecular structure and dynamics in atomistic model of a bacterial cytoplasm.
- Published in:
- eLife, 2016, p. 1, doi. 10.7554/eLife.19274
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- Publication type:
- 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.
- Published in:
- 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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- Article
Inside Cover: Molecular Basis for Two Stereoselective Diels–Alderases that Produce Decalin Skeletons (Angew. Chem. Int. Ed. 41/2021).
- Published in:
- 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**.
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- Angewandte Chemie International Edition, 2021, v. 60, n. 41, p. 22401, doi. 10.1002/anie.202106186
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- Publication type:
- Article
Folding Simulation of a Mini Protein with a Hydrophobic Core and α-helices.
- Published in:
- Seibutsu Butsuri, 2012, v. 52, n. 1, p. 22, doi. 10.2142/biophys.52.022
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- Publication type:
- Article
Molecular Dynamics Simulations Reveal Proton Transfer Pathways in Cytochrome C-Dependent Nitric Oxide Reductase.
- Published in:
- PLoS Computational Biology, 2012, v. 8, n. 8, p. 1, doi. 10.1371/journal.pcbi.1002674
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- Publication type:
- Article
Dynamic Visualization of the Electric Potential in an All-Solid-State Rechargeable Lithium Battery.
- Published in:
- Angewandte Chemie, 2010, v. 122, n. 26, p. 4516, doi. 10.1002/ange.200907319
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- Publication type:
- Article
Reduced efficacy of a Src kinase inhibitor in crowded protein solution.
- Published in:
- Nature Communications, 2021, v. 12, n. 1, p. 1, doi. 10.1038/s41467-021-24349-5
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- Publication type:
- Article
GENESIS: a hybrid-parallel and multi-scale molecular dynamics simulator with enhanced sampling algorithms for biomolecular and cellular simulations.
- Published in:
- WIREs: Computational Molecular Science, 2015, v. 5, n. 4, p. 310, doi. 10.1002/wcms.1220
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- Publication type:
- 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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- Publication type:
- Article
Role of the N‐Terminal Transmembrane Helix Contacts in the Activation of FGFR3.
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- Journal of Computational Chemistry, 2020, v. 41, n. 6, p. 561, doi. 10.1002/jcc.26122
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- Article
Scaling molecular dynamics beyond 100,000 processor cores for large‐scale biophysical simulations.
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- Journal of Computational Chemistry, 2019, v. 40, n. 21, p. 1919, doi. 10.1002/jcc.25840
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- Publication type:
- Article
GENESIS 1.1: A Hybrid-Parallel Molecular Dynamics Simulator with Enhanced Sampling Algorithms on Multiple Computational Platforms.
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- Journal of Computational Chemistry, 2017, v. 38, n. 25, p. 2193, doi. 10.1002/jcc.24874
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- Article
Flexible fitting to cryo-EM density map using ensemble molecular dynamics simulations.
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- Journal of Computational Chemistry, 2017, v. 38, n. 16, p. 1447, doi. 10.1002/jcc.24785
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- Publication type:
- Article
Multiple program/multiple data molecular dynamics method with multiple time step integrator for large biological systems.
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- Journal of Computational Chemistry, 2017, v. 38, n. 16, p. 1410, doi. 10.1002/jcc.24511
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- Article
The Following Articles were Published in Past Issues of the Journal of Computational Chemistry.
- Published in:
- 2016
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- Publication type:
- Other
Replica state exchange metadynamics for improving the convergence of free energy estimates.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 19, p. 1446, doi. 10.1002/jcc.23945
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- Publication type:
- Article
Midpoint cell method for hybrid (MPI+OpenMP) parallelization of molecular dynamics simulations.
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- Journal of Computational Chemistry, 2014, v. 35, n. 14, p. 1064, doi. 10.1002/jcc.23591
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- Publication type:
- Article
Multidimensional umbrella sampling and replica-exchange molecular dynamics simulations for structure prediction of transmembrane helix dimers.
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- Journal of Computational Chemistry, 2014, v. 35, n. 4, p. 300, doi. 10.1002/jcc.23494
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- Publication type:
- Article
Efficient Lookup Table Using a Linear Function of Inverse Distance Squared.
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- Journal of Computational Chemistry, 2013, v. 34, n. 28, p. 2412, doi. 10.1002/jcc.23404
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- Publication type:
- 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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- Publication type:
- 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.
- Published in:
- International Archives of Allergy & Immunology, 2003, v. 132, n. 4, p. 355, doi. 10.1159/000074903
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- Publication type:
- Article
Analysis of Highly Expressed Genes in Monocytes from Atopic Dermatitis Patients.
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- 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
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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- Publication type:
- Article
Induction and activation of the aryl hydrocarbon receptor by IL-4 in B cells.
- Published in:
- International Immunology, 2005, v. 17, n. 6, p. 797, doi. 10.1093/intimm/dxh260
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- Publication type:
- Article
Analysis of lipid surface area in protein-membrane systems combining voronoi tessellation and monte carlo integration methods.
- Published in:
- Journal of Computational Chemistry, 2012, v. 33, n. 3, p. 286, doi. 10.1002/jcc.21973
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- Publication type:
- Article
Geometrically associative yet electronically dissociative character in the transition state of enzymatic reversible phosphorylation.
- Published in:
- Journal of Computational Chemistry, 2011, v. 32, n. 2, p. 260, doi. 10.1002/jcc.21615
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- Publication type:
- Article
Hierarchical domain-motion analysis of conformational changes in sarcoplasmic reticulum Ca<sup>2+</sup>-ATPase.
- Published in:
- Proteins, 2015, v. 83, n. 4, p. 746, doi. 10.1002/prot.24763
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- Publication type:
- Article