Protein binding to small molecules is fundamental to many biological processes, yet it remains challenging to predictively design this functionality de novo. Cu

Ligand binding sites in natural proteins, with diverse structural details, provide the foundation for enzymatic activity, antibody-antigen recognition, ligand-i

The aim this volume is to present the methods, challenges, software, and applications of this widespread and yet still evolving and maturing field. Computationa

This volume provides a collection of protocols and approaches for the creation of novel ligand binding proteins, compiled and described by many of today's leade

There are numerous excellent reviews on fragment-based drug discovery (FBDD), but there are to date no hand-holding guides or protocols with which one can embar