Search

نمایش تعداد 1-6 از 6

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

نوع: Journal Paper

نویسنده : Akash Khandelwal; Stefan Balaz

سال: 2007

Request PDF

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

نوع: Journal Paper

نویسنده : Akash Khandelwal; Stefan Balaz

سال: 2007

Rigorous Incorporation of Tautomers, Ionization Species, and Different Binding Modes into Ligand-Based and Receptor-Based 3D-QSAR Methods

نوع: Journal Paper

نویسنده : Senthil Natesan; Stefan Balaz

سال: 2013

A practical approach to docking of zinc metalloproteinase inhibitors

نوع: Journal Paper

نویسنده : Xin Hu; Stefan Balaz; William H Shelver

ناشر: Elsevier Science

سال: 2004

Request PDF

Binding Affinity Prediction for Ligands and Receptors Forming Tautomers and Ionization Species: Inhibition of Mitogen-Activated Protein Kinase-Activated Protein Kinase 2 (MK2)

نوع: Journal Paper

نویسنده : Senthil Natesan; Rajesh Subramaniam; Charles Bergeron; Stefan Balaz

سال: 2012

Request PDF

Simulation-Based Predictions of Binding Affinities of Matrix Metalloproteinase Inhibitors

نوع: Journal Paper

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

سال: 2004

Search

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

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

Rigorous Incorporation of Tautomers, Ionization Species, and Different Binding Modes into Ligand-Based and Receptor-Based 3D-QSAR Methods

A practical approach to docking of zinc metalloproteinase inhibitors

Binding Affinity Prediction for Ligands and Receptors Forming Tautomers and Ionization Species: Inhibition of Mitogen-Activated Protein Kinase-Activated Protein Kinase 2 (MK2)

Simulation-Based Predictions of Binding Affinities of Matrix Metalloproteinase Inhibitors

نویسنده

ناشر

سال

نوع

زبان

نوع محتوا

عنوان ناشر

Search

Filters

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

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

Rigorous Incorporation of Tautomers, Ionization Species, and Different Binding Modes into Ligand-Based and Receptor-Based 3D-QSAR Methods

A practical approach to docking of zinc metalloproteinase inhibitors

Binding Affinity Prediction for Ligands and Receptors Forming Tautomers and Ionization Species: Inhibition of Mitogen-Activated Protein Kinase-Activated Protein Kinase 2 (MK2)

Simulation-Based Predictions of Binding Affinities of Matrix Metalloproteinase Inhibitors