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Machine Learning to Identify Flexibility Signatures of Class A GPCR Inhibition

Biomolecules (Basel, Switzerland), 2020-03, Vol.10 (3), p.454

2020

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Schlafen 12 Interaction with SerpinB12 and Deubiquitylases Drives Human Enterocyte Differentiation

Cellular physiology and biochemistry, 2018-01, Vol.48 (3), p.1274-1290

2018

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Structural Determinants Allowing Transferase Activity in SENSITIVE TO FREEZING 2, Classified as a Family I Glycosyl Hydrolase

The Journal of biological chemistry, 2014-09, Vol.289 (38), p.26089-26106

2014

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From Static Structure to Living Protein: Computational Analysis of Cytochrome c Oxidase Main-chain Flexibility

Biophysical journal, 2012-05, Vol.102 (9), p.2158-2166

2012

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Structural and Functional Assessment of Perilipin 2 Lipid Binding Domain(s)

Biochemistry (Easton), 2014-11, Vol.53 (45), p.7051-7066

2014

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Side‐chain flexibility in protein–ligand binding: The minimal rotation hypothesis

Protein science, 2005-04, Vol.14 (4), p.1104-1114

2005

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Protein Unfolding: Rigidity Lost

Proceedings of the National Academy of Sciences - PNAS, 2002-03, Vol.99 (6), p.3540-3545

2002

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Change in protein flexibility upon complex formation: Analysis of Ras-Raf using molecular dynamics and a molecular framework approach

Proteins, structure, function, and bioinformatics, 2004-08, Vol.56 (2), p.322-337

2004

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Translocator Protein 18 kDa (TSPO): An Old Protein with New Functions?

Biochemistry (Easton), 2016-05, Vol.55 (20), p.2821-2831

2016

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Protein–ligand interfaces are polarized: discovery of a strong trend for intermolecular hydrogen bonds to favor donors on the protein side with implications for predicting and designing ligand complexes

Journal of computer-aided molecular design, 2018-04, Vol.32 (4), p.511-528

2018

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Deciphering the three-domain architecture in schlafens and the structures and roles of human schlafen12 and serpinB12 in transcriptional regulation

Journal of molecular graphics & modelling, 2019-07, Vol.90, p.59-76

2019

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HingeMaster: Normal mode hinge prediction approach and integration of complementary predictors

Proteins, structure, function, and bioinformatics, 2008-11, Vol.73 (2), p.299-319

2008

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Detecting the native ligand orientation by interfacial rigidity: SiteInterlock

Proteins, structure, function, and bioinformatics, 2016-12, Vol.84 (12), p.1888-1901

2016

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Target Flexibility: An Emerging Consideration in Drug Discovery and Design

Journal of medicinal chemistry, 2008-10, Vol.51 (20), p.6237-6255

2008

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Automated Inference of Chemical Discriminants of Biological Activity

Methods in molecular biology (Clifton, N.J.), 2018-01, Vol.1762, p.307

2018

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Sampling protein conformations and pathways

Journal of computational chemistry, 2004-07, Vol.25 (9), p.1133-1148

2004

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Enabling the hypothesis-driven prioritization of ligand candidates in big databases: Screenlamp and its application to GPCR inhibitor discovery for invasive species control

Journal of computer-aided molecular design, 2018-03, Vol.32 (3), p.415-433

2018

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DNA binding by the Arabidopsis CBF1 transcription factor requires the PKKP/RAGRxKFxETRHP signature sequence

Biochimica et biophysica acta, 2010-05, Vol.1799 (5), p.454-462

2010

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Protein flexibility predictions using graph theory

Proteins, structure, function, and bioinformatics, 2001-08, Vol.44 (2), p.150-165

2001

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The P-loop region of Schlafen 3 acts within the cytosol to induce differentiation of human Caco-2 intestinal epithelial cells

Biochimica et biophysica acta. Molecular cell research, 2014-12, Vol.1843 (12), p.3029-3037

2014

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Epilogue to the Gerald Maggiora Festschrift: a tribute to an exemplary mentor, colleague, collaborator, and innovator

Journal of computer-aided molecular design, 2022-09, Vol.36 (9), p.623-638

2022

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accessory subunit of mtDNA polymerase shares structural homology with aminoacyl-tRNA synthetases: implications for a dual role as a primer recognition factor and processivity clamp

Proceedings of the National Academy of Sciences - PNAS, 1999-08, Vol.96 (17), p.9527-9532

1999

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Dimensionality reduction using genetic algorithms

IEEE transactions on evolutionary computation, 2000-07, Vol.4 (2), p.164-171

2000

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Inhibition of pressure-activated cancer cell adhesion by FAK-derived peptides

Oncotarget, 2017-11, Vol.8 (58), p.98051-98067

2017

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Discovering new classes of Brugia malayi asparaginyl-tRNA synthetase inhibitors and relating specificity to conformational change

Journal of computer-aided molecular design, 2006-03, Vol.20 (3), p.159-178

2006

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Machine Learning to Identify Flexibility Signatures of Class A GPCR Inhibition

Schlafen 12 Interaction with SerpinB12 and Deubiquitylases Drives Human Enterocyte Differentiation

Structural Determinants Allowing Transferase Activity in SENSITIVE TO FREEZING 2, Classified as a Family I Glycosyl Hydrolase

From Static Structure to Living Protein: Computational Analysis of Cytochrome c Oxidase Main-chain Flexibility

Structural and Functional Assessment of Perilipin 2 Lipid Binding Domain(s)

Side‐chain flexibility in protein–ligand binding: The minimal rotation hypothesis

Protein Unfolding: Rigidity Lost

Change in protein flexibility upon complex formation: Analysis of Ras-Raf using molecular dynamics and a molecular framework approach

Translocator Protein 18 kDa (TSPO): An Old Protein with New Functions?

Protein–ligand interfaces are polarized: discovery of a strong trend for intermolecular hydrogen bonds to favor donors on the protein side with implications for predicting and designing ligand complexes

Deciphering the three-domain architecture in schlafens and the structures and roles of human schlafen12 and serpinB12 in transcriptional regulation

HingeMaster: Normal mode hinge prediction approach and integration of complementary predictors

Detecting the native ligand orientation by interfacial rigidity: SiteInterlock

Target Flexibility: An Emerging Consideration in Drug Discovery and Design

Automated Inference of Chemical Discriminants of Biological Activity

Sampling protein conformations and pathways

Enabling the hypothesis-driven prioritization of ligand candidates in big databases: Screenlamp and its application to GPCR inhibitor discovery for invasive species control

DNA binding by the Arabidopsis CBF1 transcription factor requires the PKKP/RAGRxKFxETRHP signature sequence

Protein flexibility predictions using graph theory

The P-loop region of Schlafen 3 acts within the cytosol to induce differentiation of human Caco-2 intestinal epithelial cells

Epilogue to the Gerald Maggiora Festschrift: a tribute to an exemplary mentor, colleague, collaborator, and innovator

accessory subunit of mtDNA polymerase shares structural homology with aminoacyl-tRNA synthetases: implications for a dual role as a primer recognition factor and processivity clamp

Dimensionality reduction using genetic algorithms

Inhibition of pressure-activated cancer cell adhesion by FAK-derived peptides

Discovering new classes of Brugia malayi asparaginyl-tRNA synthetase inhibitors and relating specificity to conformational change

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