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Rational Approaches to Improving Selectivity in Drug Design

Journal of medicinal chemistry, 2012-02, Vol.55 (4), p.1424-1444

2012

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Combined model of intrinsic and extrinsic variability for computational network design with application to synthetic biology

PLoS computational biology, 2013-03, Vol.9 (3), p.e1002960-e1002960

2013

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Computational design of antibody-affinity improvement beyond in vivo maturation

Nature biotechnology, 2007-10, Vol.25 (10), p.1171-1176

2007

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Exploiting Temporal Collateral Sensitivity in Tumor Clonal Evolution

Cell, 2016-03, Vol.165 (1), p.234-246

2016

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Combining metabolic and protein engineering of a terpenoid biosynthetic pathway for overproduction and selectivity control

Proceedings of the National Academy of Sciences - PNAS, 2010-08, Vol.107 (31), p.13654-13659

2010

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MIST: Maximum Information Spanning Trees for dimension reduction of biological data sets

Bioinformatics, 2009-05, Vol.25 (9), p.1165-1172

2009

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Subsystem identification through dimensionality reduction of large-scale gene expression data

Genome research, 2003-07, Vol.13 (7), p.1706-1718

2003

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A Fungal-Selective Cytochrome bc1 Inhibitor Impairs Virulence and Prevents the Evolution of Drug Resistance

Cell chemical biology, 2016-08, Vol.23 (8), p.978-991

2016

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Aglycosylated immunoglobulin G₁ variants productively engage activating Fc receptors

Proceedings of the National Academy of Sciences - PNAS, 2008-12, Vol.105 (51), p.20167-20172

2008

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Using turnover dynamics to redesign KARI for improved catalytic activity

Biophysical journal, 2023-02, Vol.122 (3), p.312a-312a

2023

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A post-synaptic scaffold at the origin of the animal kingdom

PloS one, 2007-06, Vol.2 (6), p.e506-e506

2007

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Distinct mechanisms act in concert to mediate cell cycle arrest

Proceedings of the National Academy of Sciences - PNAS, 2009-01, Vol.106 (3), p.785-790

2009

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Synergistic drug–cytokine induction of hepatocellular death as an in vitro approach for the study of inflammation-associated idiosyncratic drug hepatotoxicity

Toxicology and applied pharmacology, 2009-06, Vol.237 (3), p.317-330

2009

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Modeling stem cell induction processes

PloS one, 2013-05, Vol.8 (5), p.e60240-e60240

2013

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A Coarse-Grained Molecular Model for Glycosaminoglycans: Application to Chondroitin, Chondroitin Sulfate, and Hyaluronic Acid

Biophysical journal, 2005-06, Vol.88 (6), p.3870-3887

2005

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Evaluating the Substrate-Envelope Hypothesis: Structural Analysis of Novel HIV-1 Protease Inhibitors Designed To Be Robust against Drug Resistance

Journal of Virology, 2010-05, Vol.84 (10), p.5368-5378

2010

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High-Resolution Protein Design with Backbone Freedom

Science (American Association for the Advancement of Science), 1998-11, Vol.282 (5393), p.1462-1467

1998

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De novo Determination of Peptide Structure with Solid-State Magic-Angle Spinning NMR Spectroscopy

Proceedings of the National Academy of Sciences - PNAS, 2002-08, Vol.99 (16), p.10260-10265

2002

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Substrate Turnover Dynamics Guide Ketol-Acid Reductoisomerase Redesign for Increased Specific Activity

ACS catalysis, 2024-07, Vol.14 (14), p.10491-10509

2024

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Do salt bridges stabilize proteins? A continuum electrostatic analysis

Protein science, 1994-02, Vol.3 (2), p.211-226

1994

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Rational cytokine design for increased lifetime and enhanced potency using pH-activated "histidine switching"

Nature biotechnology, 2002-09, Vol.20 (9), p.908-913

2002

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Stimulus design for model selection and validation in cell signaling

PLoS computational biology, 2008-02, Vol.4 (2), p.e30-e30

2008

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Entropy of Two-Molecule Correlated Translational-Rotational Motions Using the kth Nearest Neighbor Method

Journal of chemical theory and computation, 2021-05, Vol.17 (5), p.3039-3051

2021

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Machine Learning Identifies Chemical Characteristics That Promote Enzyme Catalysis

Journal of the American Chemical Society, 2019-03, Vol.141 (9), p.4108-4118

2019

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Optimization of binding electrostatics: Charge complementarity in the barnase‐barstar protein complex

Protein science, 2001-02, Vol.10 (2), p.362-377

2001

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Rational Approaches to Improving Selectivity in Drug Design

Combined model of intrinsic and extrinsic variability for computational network design with application to synthetic biology

Computational design of antibody-affinity improvement beyond in vivo maturation

Exploiting Temporal Collateral Sensitivity in Tumor Clonal Evolution

Combining metabolic and protein engineering of a terpenoid biosynthetic pathway for overproduction and selectivity control

MIST: Maximum Information Spanning Trees for dimension reduction of biological data sets

Subsystem identification through dimensionality reduction of large-scale gene expression data

A Fungal-Selective Cytochrome bc1 Inhibitor Impairs Virulence and Prevents the Evolution of Drug Resistance

Aglycosylated immunoglobulin G₁ variants productively engage activating Fc receptors

Using turnover dynamics to redesign KARI for improved catalytic activity

A post-synaptic scaffold at the origin of the animal kingdom

Distinct mechanisms act in concert to mediate cell cycle arrest

Synergistic drug–cytokine induction of hepatocellular death as an in vitro approach for the study of inflammation-associated idiosyncratic drug hepatotoxicity

Modeling stem cell induction processes

A Coarse-Grained Molecular Model for Glycosaminoglycans: Application to Chondroitin, Chondroitin Sulfate, and Hyaluronic Acid

Evaluating the Substrate-Envelope Hypothesis: Structural Analysis of Novel HIV-1 Protease Inhibitors Designed To Be Robust against Drug Resistance

High-Resolution Protein Design with Backbone Freedom

De novo Determination of Peptide Structure with Solid-State Magic-Angle Spinning NMR Spectroscopy

Substrate Turnover Dynamics Guide Ketol-Acid Reductoisomerase Redesign for Increased Specific Activity

Do salt bridges stabilize proteins? A continuum electrostatic analysis

Rational cytokine design for increased lifetime and enhanced potency using pH-activated "histidine switching"

Stimulus design for model selection and validation in cell signaling

Entropy of Two-Molecule Correlated Translational-Rotational Motions Using the kth Nearest Neighbor Method

Machine Learning Identifies Chemical Characteristics That Promote Enzyme Catalysis

Optimization of binding electrostatics: Charge complementarity in the barnase‐barstar protein complex

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