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Allosteric Effects of the Oncogenic RasQ61L Mutant on Raf-RBD

Structure (London), 2015-03, Vol.23 (3), p.505-516

2015

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Improving Protein-Ligand Docking Results with High-Throughput Molecular Dynamics Simulations

Journal of chemical information and modeling, 2020-04, Vol.60 (4), p.2189-2198

2020

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CHARMM-GUI-Based Induced Fit Docking Workflow to Generate Reliable Protein–Ligand Binding Modes

Journal of chemical information and modeling, 2023-08, Vol.63 (15), p.4772-4779

2023

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Induced fit docking workflow based on charmm-gui modules: LBS Finder & Refiner and High-Throughput Simulator

Biophysical journal, 2022-02, Vol.121 (3), p.50a-50a

2022

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Ligand-Binding-Site Structure Refinement Using Molecular Dynamics with Restraints Derived from Predicted Binding Site Templates

Journal of chemical theory and computation, 2019-11, Vol.15 (11), p.6524-6535

2019

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Ras Residue Y71 Promotes Flexibility of Switch I and Switch II

The FASEB journal, 2017-04, Vol.31 (S1)

2017

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CHARMM-GUI high-throughput simulator

Biophysical journal, 2022-02, Vol.121 (3), p.531a-531a

2022

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Ligand-Binding-Site Refinement to Generate Reliable Holo Protein Structure Conformations from Apo Structures

Journal of chemical information and modeling, 2021-01, Vol.61 (1), p.535-546

2021

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CHARMM-GUI LBS Finder & Refiner for Ligand Binding Site Prediction and Refinement

Journal of chemical information and modeling, 2021-08, Vol.61 (8), p.3744-3751

2021

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CHARMM-GUI Ligand Designer for Template-Based Virtual Ligand Design in a Binding Site

Journal of chemical information and modeling, 2021-11, Vol.61 (11), p.5336-5342

2021

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Mechanisms of isoform-specific residue influence on GTP-bound HRas, KRas, and NRas

Biophysical journal, 2022-10, Vol.121 (19), p.3616-3629

2022

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Molecular basis of polyspecific drug and xenobiotic recognition by OCT1 and OCT2

Nature structural & molecular biology, 2023-07, Vol.30 (7), p.1001-1011

2023

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Predicting X‐ray solution scattering from flexible macromolecules

Protein science, 2018-12, Vol.27 (12), p.2023-2036

2018

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CHARMM‐GUI high‐throughput simulator for efficient evaluation of protein–ligand interactions with different force fields

Protein science, 2022-09, Vol.31 (9), p.n/a

2022

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Predicting X-ray solution scattering from flexible macromolecules: WAXS from Flexible Macromolecules

Protein science, 2018-10, Vol.27 (12)

2018

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The Effect of Y71 Mutants on The Allosteric Switch of Ras

The FASEB journal, 2016-04, Vol.30 (S1)

2016

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From Truncated Models to Full Protein QM/MM Analysis of the Reaction Catalyzed by Malate Dehydrogenase

The FASEB journal, 2012-04, Vol.26 (S1)

2012

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Ras Structure, Dynamics and Conformational States Assessed by MD Simulations and Solution Wide angle X‐ray Scattering

The FASEB journal, 2020-04, Vol.34 (S1), p.1-1

2020

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Raf promotes dimerization of the Ras G-domain with increased allosteric connections

Proceedings of the National Academy of Sciences - PNAS, 2021-03, Vol.118 (10), p.1-11

2021

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Verifying Self-Consistency of Protein Structure and Dynamics through MD Simulation and WAXS

Biophysical journal, 2017-02, Vol.112 (3), p.176a-176a

2017

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Characterizing Conformational Ensemble of H‐, K‐, and N‐Ras Using Accelerated Molecular Dynamics and Wide‐Angle X‐ray Solution Scattering (WAXS)

The FASEB journal, 2016-04, Vol.30 (S1)

2016

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Computational approach to investigate the catalytic chemical reaction mechanism of glyoxysomal Malate Dehydrogenase

The FASEB journal, 2010-04, Vol.24 (S1), p.463.6-463.6

2010

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Raf promotes dimerization of the Ras G‐domain with increased allosteric connections

The FASEB journal, 2021-05, Vol.35 (S1), p.n/a, Article fasebj.2021.35.S1.03183

2021

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Ras Isoforms Conformational Clustering and Community Networks Studies: Simulating Ras with Accelerated Molecular Dynamics

The FASEB journal, 2015-04, Vol.29 (S1)

2015

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Raf promotes dimerization of the Ras G‐domain

The FASEB journal, 2020-04, Vol.34 (S1), p.1-1

2020

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Allosteric Effects of the Oncogenic RasQ61L Mutant on Raf-RBD

Improving Protein-Ligand Docking Results with High-Throughput Molecular Dynamics Simulations

CHARMM-GUI-Based Induced Fit Docking Workflow to Generate Reliable Protein–Ligand Binding Modes

Induced fit docking workflow based on charmm-gui modules: LBS Finder & Refiner and High-Throughput Simulator

Ligand-Binding-Site Structure Refinement Using Molecular Dynamics with Restraints Derived from Predicted Binding Site Templates

Ras Residue Y71 Promotes Flexibility of Switch I and Switch II

CHARMM-GUI high-throughput simulator

Ligand-Binding-Site Refinement to Generate Reliable Holo Protein Structure Conformations from Apo Structures

CHARMM-GUI LBS Finder & Refiner for Ligand Binding Site Prediction and Refinement

CHARMM-GUI Ligand Designer for Template-Based Virtual Ligand Design in a Binding Site

Mechanisms of isoform-specific residue influence on GTP-bound HRas, KRas, and NRas

Molecular basis of polyspecific drug and xenobiotic recognition by OCT1 and OCT2

Predicting X‐ray solution scattering from flexible macromolecules

CHARMM‐GUI high‐throughput simulator for efficient evaluation of protein–ligand interactions with different force fields

Predicting X-ray solution scattering from flexible macromolecules: WAXS from Flexible Macromolecules

The Effect of Y71 Mutants on The Allosteric Switch of Ras

From Truncated Models to Full Protein QM/MM Analysis of the Reaction Catalyzed by Malate Dehydrogenase

Ras Structure, Dynamics and Conformational States Assessed by MD Simulations and Solution Wide angle X‐ray Scattering

Raf promotes dimerization of the Ras G-domain with increased allosteric connections

Verifying Self-Consistency of Protein Structure and Dynamics through MD Simulation and WAXS

Characterizing Conformational Ensemble of H‐, K‐, and N‐Ras Using Accelerated Molecular Dynamics and Wide‐Angle X‐ray Solution Scattering (WAXS)

Computational approach to investigate the catalytic chemical reaction mechanism of glyoxysomal Malate Dehydrogenase

Raf promotes dimerization of the Ras G‐domain with increased allosteric connections

Ras Isoforms Conformational Clustering and Community Networks Studies: Simulating Ras with Accelerated Molecular Dynamics

Raf promotes dimerization of the Ras G‐domain

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