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Blind, one-eyed, or eagle-eyed? pKa calculations during blind predictions with staphylococcal nuclease
British Library Online Contents | 2011| -
Atypical Protonation States in the Active Site of HIV-1 Protease: A Computational Study
Online Contents | 2007| -
Atypical Protonation States in the Active Site of HIV-1 Protease: A Computational Study
British Library Online Contents | 2007| -
Protonation Changes upon Ligand Binding to Trypsin and Thrombin: Structural Interpretation Based on pKa Calculations and ITC Experiments
British Library Online Contents | 2007| -
LigpKa – a database of pKa values for small molecule ligands designed for the use in structure-based pKa calculations
Free accessSpringer Verlag | 2011| -
Tracing Changes in Protonation: A Prerequisite to Factorize Thermodynamic Data of Inhibitor Binding to Aldose Reductase
British Library Online Contents | 2007| -
Development, validation, and application of adapted PEOE charges to estimate pKa values of functional groups in protein-ligand complexes
British Library Online Contents | 2006| -
TRAPP: A Tool for Analysis of Transient Binding Pockets in Proteins
British Library Online Contents | 2013| -
Chasing Protons: How Isothermal Titration Calorimetry, Mutagenesis, and pK~a Calculations Trace the Locus of Charge in Ligand Binding to a tRNA-Binding Enzyme
British Library Online Contents | 2014| -
Structure-based optimization of non-peptidic Cathepsin D inhibitors
British Library Online Contents | 2014| -
A selective chemical probe for exploring the role of CDK8 and CDK19 in human disease
British Library Online Contents | 2015| -
The Mid-Region of Parathyroid Hormone (1-34) Serves as a Functional Docking Domain in Receptor Activation
British Library Online Contents | 2006|
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