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2012, Biological and Medical Physics, Biomedical Engineering, ISBN 1461421462
Computational modeling is emerging as a powerful new approach for studying and manipulating biological systems. Many diverse methods have been developed to... 
Medicine | Bioinformatics | Physics
Web Resource
Chemical Reviews, ISSN 0009-2665, 06/2016, Volume 116, Issue 11, p. 6463
  Allosteric transition, defined as conformational changes induced by ligand binding, is one of the fundamental properties of proteins. Allostery has been... 
Proteins | Research & development--R&D | Ligands | Binding sites | Cells
Journal Article
Science Translational Medicine, ISSN 1946-6234, 07/2014, Volume 6, Issue 246
Journal Article
Journal of Chemical Information and Modeling, ISSN 1549-9596, 06/2019, Volume 59, Issue 6, pp. 2509 - 2515
Molecular docking is the key ingredient of virtual drug screening, a promising and cost-effective approach for finding new drugs. A critical limitation of this... 
DESIGN | CHEMISTRY, MEDICINAL | COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS | DISCRETE MOLECULAR-DYNAMICS | COMPUTER SCIENCE, INFORMATION SYSTEMS | IMPROVES | CHEMISTRY, MULTIDISCIPLINARY | PREDICTION | Proteins | Ligands | Servers (computers) | Molecular docking
Journal Article
Nature Communications, ISSN 2041-1723, 12/2018, Volume 9, Issue 1, pp. 4042 - 8
Journal Article
Biophysical Journal, ISSN 0006-3495, 02/2018, Volume 114, Issue 3, pp. 27a - 27a
Journal Article
Biophysical Journal, ISSN 0006-3495, 02/2019, Volume 116, Issue 3, pp. 490a - 490a
Journal Article
Nature Protocols, ISSN 1754-2189, 06/2019, Volume 14, Issue 6, pp. 1863 - 1883
Control of protein activity in living cells can reveal the role of spatiotemporal dynamics in signaling circuits. Protein analogs with engineered allosteric... 
LOV2 DOMAIN | PLATFORM | CELLS | SPATIOTEMPORAL CONTROL | ACTIVATION REVEALS | OPTOGENETIC TOOL | SERVER | BIOCHEMICAL RESEARCH METHODS | PHOTOTROPIN | INDUCTION | MOTILITY | Catalytic Domain - drug effects | Protein Kinases - metabolism | Protein Kinases - genetics | Protein Engineering - methods | Humans | Protein Kinases - chemistry | Allosteric Site - radiation effects | Guanine Nucleotide Exchange Factors - metabolism | Light | Cloning, Molecular - methods | HEK293 Cells | rho GTP-Binding Proteins - chemistry | Catalytic Domain - radiation effects | Allosteric Regulation - drug effects | Cell Line | Guanine Nucleotide Exchange Factors - genetics | rho GTP-Binding Proteins - genetics | Allosteric Site - drug effects | Models, Molecular | Sirolimus - metabolism | Animals | rho GTP-Binding Proteins - metabolism | Ligands | Mice | HeLa Cells | Allosteric Regulation - radiation effects | Guanine Nucleotide Exchange Factors - chemistry | Target recognition | Identification methods | Insertion | Homology | Kinases | Inactivation | Guanine | Analogs | Proteins | Genetic code | Allosteric properties | Coding | Interrogation | Temporal resolution | Catalysis | Protein-tyrosine kinase | Crystal structure | Tyrosine | Deactivation | Cloning | Rac1 protein | Rapamycin | Domains | Signaling | Computation | Cell lines | Computer applications | In vitro methods and tests | Guanosinetriphosphatase
Journal Article
PLOS COMPUTATIONAL BIOLOGY, ISSN 1553-7358, 07/2019, Volume 15, Issue 7, pp. e1007225 - e1007225
Journal Article
Structure, ISSN 0969-2126, 10/2019, Volume 27, Issue 10, pp. 1527 - 1536.e3
Vinculin and its splice isoform metavinculin play key roles in regulating cellular morphology, motility, and force transduction. Vinculin is distinct from... 
metavinculin | actin | vinculin | cardiomyopathy | molecular dynamics | heart
Journal Article
PLoS Computational Biology, ISSN 1553-734X, 07/2019, Volume 15, Issue 7
Journal Article
Journal of Physical Chemistry B, ISSN 1520-6106, 05/2019, Volume 123, Issue 21, pp. 4534 - 4539
Phenylalanine hydroxylase (PAH) is an iron enzyme catalyzing the oxidation of l-Phe to l-Tyr during phenylalanine catabolism. Dysfunction of PAH leads to the... 
Journal Article
Physics of Life Reviews, ISSN 1571-0645, 07/2017, Volume 21, pp. 72 - 74
Journal Article
Biophysical Journal, ISSN 0006-3495, 07/2017, Volume 113, Issue 2, p. 290
When a ribonucleic acid (RNA) molecule folds, it often does not adopt a single, well-defined conformation. The folding energy landscape of an RNA is highly... 
Water-borne diseases | Transcription | Nucleotide sequence | Adenine | Stop codon | mRNA | Ribonucleic acid--RNA | Molecules | Partitions | Energy | Space based | Actin | In vivo methods and tests | Mutation | Stochasticity | Comparative analysis | Sampling | Folding | Acylation | Vibrio
Journal Article
ChemBioChem, ISSN 1439-4227, 10/2018, Volume 19, Issue 20, pp. 2120 - 2120
The front cover picture shows the reversible optical switching of protein function through site‐specific incorporation of different azobenzene‐modified... 
optochemical biology | azobenzene | unnatural amino acid | photoswitching
Journal Article
Proceedings of the National Academy of Sciences of the United States of America, ISSN 0027-8424, 05/2018, Volume 115, Issue 18, p. 4661
Aberrant accumulation of misfolded Cu, Zn superoxide dismutase (SOD1) is a hallmark of SOD1-associated amyotrophic lateral sclerosis (ALS), an invariably fatal... 
Scanning electron microscopy | Cell survival | Fibrils | Cytotoxicity | Amyotrophic lateral sclerosis | Superoxide dismutase | Motors | Superoxide | Trimers | Electron microscopy | Zinc | Mutants | Intermediates | Neurotoxicity | Aggregates | Cell death | Gel filtration | Mutation | Copper | Viability
Journal Article
Proceedings of the National Academy of Sciences of the United States of America, ISSN 0027-8424, 06/2017, Volume 114, Issue 23, p. E4556
How proteins sense and navigate the cellular interior to find their functional partners remains poorly understood. An intriguing aspect of this search is that... 
Surface charge | Nuclear magnetic resonance--NMR | Biological control | Electric dipoles | Hydrophobicity | Cells | Optimization | Proteins | Charge density | Chemistry | E coli | Bacteria | Dipole moments | Mutation | Diffusion | Protein interaction | Cytoplasm
Journal Article
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