Amanote Research
Register
Sign In
Solvated Interaction Energy (SIE) for Scoring Protein-Ligand Binding Affinities. 1. Exploring the Parameter Space
doi 10.1021/ci600406v.s001
Full Text
Open PDF
Abstract
Available in
full text
Date
Unknown
Authors
Unknown
Publisher
American Chemical Society (ACS)
Related search
Solvated Interaction Energy (SIE) for Scoring Protein–Ligand Binding Affinities. 2. Benchmark in the CSAR-2010 Scoring Exercise
Journal of Chemical Information and Modeling
Computer Science Applications
Chemistry
Chemical Engineering
Library
Information Sciences
Absolute Binding Free Energy Calculations: On the Accuracy of Computational Scoring of Protein-Ligand Interactions
Proteins: Structure, Function and Genetics
Biochemistry
Structural Biology
Molecular Biology
Evaluation of Several Two-Step Scoring Functions Based on Linear Interaction Energy, Effective Ligand Size, and Empirical Pair Potentials for Prediction of Protein–Ligand Binding Geometry and Free Energy
Journal of Chemical Information and Modeling
Computer Science Applications
Chemistry
Chemical Engineering
Library
Information Sciences
Nanoscale Ion Emitters in Native Mass Spectrometry for Measuring Ligand–Protein Binding Affinities
ACS Central Science
Chemistry
Chemical Engineering
Large Scale Relative Protein Ligand Binding Affinities Using Non-Equilibrium Alchemy
Chemical Science
Chemistry
An Efficient Computational Method for Calculating Ligand Binding Affinities
PLoS ONE
Multidisciplinary
Ligand-Induced Conformational Changes: Improved Predictions of Ligand Binding Conformations and Affinities
Biophysical Journal
Biophysics
Protein-Ligand Interaction Energy-Based Entropy Calculations: Fundamental Challenges for Flexible Systems
Journal of Physical Chemistry B
Surfaces
Theoretical Chemistry
Materials Chemistry
Films
Medicine
Coatings
Physical
Linear Interaction Energy Based Prediction of Cytochrome P450 1A2 Binding Affinities With Reliability Estimation
PLoS ONE
Multidisciplinary