Contents:
1.
Overview of Rational Drug
Design
2.
Conformational and Energetic
Aspects of Receptor-Ligand Recognition
3.
New Free Energy Calculation
Methods for Structure-Based Drug Design and Prediction of Protein Stability
4.
Binding Evaluation Using the
Finite Difference Solution to the Linearized Poisson-Boltzmann Equation and
salvation Entropy Correction
5.
SmoG: A Ligand Design Method
Based on Knowledge-Based Parametrization of a Solvent Reorganization Model
6.
The Evaluation of Multi-Body
Dynamics for Studying Ligand-Protein Interactions: Using MBO (N)D to Probe the
Unbinding Pathways of Cbz-Val-Phe-Phe-Val-Cbz from the Active Site of HIV-1
Phase
7.
Calculation of Relative
Hydration Free Energy Differences for Heteroaromatic Compounds: Use in the
Design of AMP Deaminase Inhibitors
8.
New Tools for Rational Drug
Design
9.
Rational Approaches to
Inhibition of Human Osteoclast Cathepsin K and Treatment of Osteoporosis
10.
Building a Hypothesis for
Nucleotide Transport Inhibitors
Unified Pharmacophoric Model for Cannabinoids
and Aminoalkylindoles Derived from Molecular Superimposition of CB Cannabinoid
Receptor Agonists CP55244 and WIN55212-2 |
