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QM/MM linear response method distinguishes ligand affinities for closely related metalloproteins

Type: Journal Paper

Author : Akash Khandelwal; Stefan Balaz

Year: 2007

Improved estimation of ligand–macromolecule binding affinities by linear response approach using a combination of multi-mode MD simulation and QM/MM methods

Type: Journal Paper

Author : Akash Khandelwal; Stefan Balaz

Year: 2007

Simulation-Based Predictions of Binding Affinities of Matrix Metalloproteinase Inhibitors

Type: Journal Paper

Author : Akash Khandelwal; Viera Lukacova; Daniel M. Kroll; Dogan Çömez; Soumyendu Raha; Stefan Balaz

Year: 2004

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Akash Khandelwal (3)

Stefan Balaz (3)

Daniel M. Kroll (1)

Dogan Çömez (1)

Soumyendu Raha (1)

Viera Lukacova (1)

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2004 (1)

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Journal Paper (3)

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