Search Results - "Blacklock, Kristin"
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Computational modeling of allosteric regulation in the hsp90 chaperones: a statistical ensemble analysis of protein structure networks and allosteric communications
Published in PLoS computational biology (01-06-2014)“…A fundamental role of the Hsp90 chaperone in regulating functional activity of diverse protein clients is essential for the integrity of signaling networks. In…”
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2
Allosteric regulation of the Hsp90 dynamics and stability by client recruiter cochaperones: protein structure network modeling
Published in PloS one (20-01-2014)“…The fundamental role of the Hsp90 chaperone in supporting functional activity of diverse protein clients is anchored by specific cochaperones. A family of…”
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Journal Article -
3
Computational Design of a Photocontrolled Cytosine Deaminase
Published in Journal of the American Chemical Society (10-01-2018)“…There is growing interest in designing spatiotemporal control over enzyme activities using noninvasive stimuli such as light. Here, we describe a…”
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Journal Article -
4
Differential modulation of functional dynamics and allosteric interactions in the Hsp90-cochaperone complexes with p23 and Aha1: a computational study
Published in PloS one (19-08-2013)“…Allosteric interactions of the molecular chaperone Hsp90 with a large cohort of cochaperones and client proteins allow for molecular communication and event…”
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5
A computational method for the design of nested proteins by loop‐directed domain insertion
Published in Proteins, structure, function, and bioinformatics (01-03-2018)“…The computational design of novel nested proteins—in which the primary structure of one protein domain (insert) is flanked by the primary structure segments of…”
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Mathematical Models of Protease-Based Enzymatic Biosensors
Published in ACS synthetic biology (21-02-2020)“…An important goal of synthetic biology is to build biosensors and circuits with well-defined input–output relationships that operate at speeds found in natural…”
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Computational assessment of thioether isosteres
Published in Journal of molecular graphics & modelling (01-03-2018)“…•Diaryl and bis(heteroaryl) thioethers are important but metabolically vulnerable scaffolds in medicinal chemistry.•Calculations indicate that the bridging…”
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8
Photoswitchable Affinity Reagents: Computational Design and Efficient Red‐Light Switching
Published in ChemPhotoChem (01-06-2019)“…Photo‐controlled affinity reagents seek to provide modular spatiotemporal control of bioactivity by conferring photo‐switchability of function on an affinity…”
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Structural bioinformatics and protein docking analysis of the molecular chaperone-kinase interactions: towards allosteric inhibition of protein kinases by targeting the hsp90-cdc37 chaperone machinery
Published in Pharmaceuticals (Basel, Switzerland) (11-11-2013)“…A fundamental role of the Hsp90-Cdc37 chaperone system in mediating maturation of protein kinase clients and supporting kinase functional activity is essential…”
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10
Computational Modeling of Allosteric Regulation in the Hsp90 Chaperones: A Statistical Ensemble Analysis of Protein Structure Networks and Allosteric Communications: e1003679
Published in PLoS computational biology (01-06-2014)“…A fundamental role of the Hsp90 chaperone in regulating functional activity of diverse protein clients is essential for the integrity of signaling networks. In…”
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Journal Article -
11
Experimentally Guided Structural Modeling and Dynamics Analysis of Hsp90–p53 Interactions: Allosteric Regulation of the Hsp90 Chaperone by a Client Protein
Published in Journal of chemical information and modeling (25-11-2013)“…A fundamental role of the Hsp90 chaperone system in mediating maturation of protein clients is essential for the integrity of signaling pathways involved in…”
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12
Systematic Comparison of Amber and Rosetta Energy Functions for Protein Structure Evaluation
Published in Journal of chemical theory and computation (13-11-2018)“…An accurate energy function is an essential component of biomolecular structural modeling and design. The comparison of differently derived energy functions…”
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13
Computational Design of a Photo-controlled Cytosine Deaminase
Published in Journal of the American Chemical Society (28-12-2017)“…There is growing interest in designing spatiotemporal control over enzyme activities using noninvasive stimuli such as light. Here, we describe a…”
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Journal Article -
14
New Tools and Approaches for Computational Protein Design
Published 01-01-2019“…This dissertation describes the development, benchmarking, validation, and application of computational methods, mostly written within the Rosetta suite of…”
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Dissertation -
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Allosteric Regulation of the Hsp90 Dynamics and Stability by Client Recruiter Cochaperones: Protein Structure Network Modeling: e86547
Published in PloS one (01-01-2014)“…The fundamental role of the Hsp90 chaperone in supporting functional activity of diverse protein clients is anchored by specific cochaperones. A family of…”
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Journal Article