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Publications by G. Bulusu

MD Simulations of Ligand-Bound and Ligand-Free Aptamer: Molecular Level Insights Into the Binding and Switching Mechanism of the Add A-Riboswitch

Molecular Biology

English

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Ligand-Induced Stabilization of the Aptamer Terminal Helix in the Add Adenine Riboswitch

Molecular Biology

English

Structural Insights Into Ligand Recognition by a Sensing Domain of the Cooperative Glycine Riboswitch

Molecular Biology

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Structure and Ligand Binding of the ADP-binding Domain of the NAD+ Riboswitch

Molecular Biology

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Relative Ligand-Binding Free Energies Calculated From Multiple Short QM/MM MD Simulations

Journal of Chemical Theory and Computation

Theoretical Chemistry

Computer Science Applications

English

Predicting Charged-Ligand Binding From Molecular Simulations

Biophysical Journal

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Structural Insights Into the Ligand Binding and Releasing Mechanism ofAntheraea polyphemusPheromone-Binding Protein 1: Role of the C-Terminal Tail

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Structural Insights Into the Osteopontin-Aptamer Complex by Molecular Dynamics Simulations

Frontiers in Chemistry

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Structural Basis of Ligand Binding by a C-Di-GMP Riboswitch

Nature Structural and Molecular Biology

Structural Biology

Molecular Biology

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Structural Insights Into Ligand Modulation of the TRPV2 Channel

Biophysical Journal

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