Search Results - "Alford, Rebecca F"
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The Rosetta All-Atom Energy Function for Macromolecular Modeling and Design
Published in Journal of chemical theory and computation (13-06-2017)“…Over the past decade, the Rosetta biomolecular modeling suite has informed diverse biological questions and engineering challenges ranging from interpretation…”
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2
Protein Structure Prediction and Design in a Biologically Realistic Implicit Membrane
Published in Biophysical journal (21-04-2020)“…Protein design is a powerful tool for elucidating mechanisms of function and engineering new therapeutics and nanotechnologies. Although soluble protein design…”
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A cyber-linked undergraduate research experience in computational biomolecular structure prediction and design
Published in PLoS computational biology (01-12-2017)“…Computational biology is an interdisciplinary field, and many computational biology research projects involve distributed teams of scientists. To accomplish…”
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4
An Integrated Framework Advancing Membrane Protein Modeling and Design
Published in PLoS computational biology (01-09-2015)“…Membrane proteins are critical functional molecules in the human body, constituting more than 30% of open reading frames in the human genome. Unfortunately, a…”
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Diverse Scientific Benchmarks for Implicit Membrane Energy Functions
Published in Journal of chemical theory and computation (10-08-2021)“…Energy functions are fundamental to biomolecular modeling. Their success depends on robust physical formalisms, efficient optimization, and high-resolution…”
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6
Membrane Protein Engineering with Rosetta
Published in Methods in molecular biology (Clifton, N.J.) (2021)“…Protein engineering can yield new molecular tools for nanotechnology and therapeutic applications through modulating physiochemical and biological properties…”
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Protein docking and steered molecular dynamics suggest alternative phospholamban-binding sites on the SERCA calcium transporter
Published in The Journal of biological chemistry (07-08-2020)“…The transport activity of the sarco(endo)plasmic reticulum calcium ATPase (SERCA) in cardiac myocytes is modulated by an inhibitory interaction with a…”
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Protein Structure Prediction and Design in a Biologically Realistic Implicit Membrane
Published in Biophysical journal (19-10-2021)Get full text
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Robust classification of protein variation using structural modelling and large-scale data integration
Published in Nucleic acids research (07-04-2016)“…Existing methods for interpreting protein variation focus on annotating mutation pathogenicity rather than detailed interpretation of variant deleteriousness…”
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Ensuring scientific reproducibility in bio-macromolecular modeling via extensive, automated benchmarks
Published in Nature communications (29-11-2021)“…Each year vast international resources are wasted on irreproducible research. The scientific community has been slow to adopt standard software engineering…”
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11
A humanized yeast system to analyze cleavage of prelamin A by ZMPSTE24
Published in Methods (San Diego, Calif.) (15-03-2019)“…•The protease ZMPSTE24 performs the final cleavage step in prelamin A maturation.•Mutations in ZMPSTE24 or LMNA cause progeria and related disorders.•A…”
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Correction to “The Rosetta All-Atom Energy Function for Macromolecular Modeling and Design”
Published in Journal of chemical theory and computation (12-07-2022)Get full text
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Big Data from Sparse Data: Diverse Scientific Benchmarks Reveal Optimization Imperatives for Implicit Membrane Energy Functions
Published in Biophysical journal (07-02-2020)Get full text
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Toward Accurate Prediction and Design of Kinked Alpha Helices in Membrane Proteins
Published in Biophysical journal (01-02-2019)Get full text
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A Thermodynamically-Rigorous, Biologically-Driven Energy Function for Membrane Protein Modeling and Design
Published in Biophysical journal (01-02-2019)Get full text
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Fast Implicit Potentials for Accurate Prediction and Design of Membrane Protein Structures
Published in Biophysical journal (02-02-2018)Get full text
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Rosetta-MPDock: A Novel Computational Tool for Protein-Protein Docking within the Membrane Bilayer
Published in Biophysical journal (27-01-2015)Get full text
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A Deep-Dive into the Rosetta Energy Function for Biological Macromolecules
Published in Biophysical journal (03-02-2017)Get full text
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Toward Biologically Realistic Computational Membrane Protein Structure Prediction and Design
Published 01-01-2020“…Membrane proteins function as gates and checkpoints that control the transit of molecules and information across the lipid bilayer. Understanding their…”
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Dissertation -
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An Integrated Framework Advancing Membrane Protein Modeling and Design: e1004398
Published in PLoS computational biology (01-09-2015)“…Membrane proteins are critical functional molecules in the human body, constituting more than 30% of open reading frames in the human genome. Unfortunately, a…”
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