Molecular recognition in chemical and biological systems

E Persch, O Dumele, F Diederich - … Chemie International Edition, 2015 - Wiley Online Library
Abstract Structure‐based ligand design in medicinal chemistry and crop protection relies on
the identification and quantification of weak noncovalent interactions and understanding the …

The Phenix software for automated determination of macromolecular structures

PD Adams, PV Afonine, G Bunkóczi, VB Chen… - Methods, 2011 - Elsevier
X-ray crystallography is a critical tool in the study of biological systems. It is able to provide
information that has been a prerequisite to understanding the fundamentals of life. It is also a …

The Cambridge Structural Database: a quarter of a million crystal structures and rising

FH Allen - Acta Crystallographica Section B: Structural Science, 2002 - scripts.iucr.org
The Cambridge Structural Database (CSD) now contains data for more than a quarter of a
million small-molecule crystal structures. The information content of the CSD, together with …

Supramolecular synthons in crystal engineering—a new organic synthesis

GR Desiraju - Angewandte Chemie International Edition in …, 1995 - Wiley Online Library
A crystal of an organic compound is the ultimate supermolecule, and its assembly, governed
by chemical and geometrical factors, from individual molecules is the perfect example of …

BYPASS: an effective method for the refinement of crystal structures containing disordered solvent regions

PV Van der Sluis, AL Spek - Acta Crystallographica Section A …, 1990 - scripts.iucr.org
A method is described for the least-squares refinement of the atomic parameters of the
ordered part of a crystal structure in the presence of disordered solvent areas. Potential …

[图书][B] Crystal engineering: a textbook

GR Desiraju, JJ Vittal, A Ramanan - 2011 - books.google.com
This book is important because it is the first textbook in an area that has become very
popular in recent times. There are around 250 research groups in crystal engineering …

Accurate bond and angle parameters for X-ray protein structure refinement

RA Engh, R Huber - Acta Crystallographica Section A: Foundations of …, 1991 - scripts.iucr.org
Bond-length and bond-angle parameters are derived from a statistical survey of X-ray
structures of small compounds from the Cambridge Structural Database. The side chains of …

The computer program LUDI: a new method for the de novo design of enzyme inhibitors

HJ Böhm - Journal of computer-aided molecular design, 1992 - Springer
A new computer program is described, which positions small molecules into clefts of protein
structures (eg an active site of an enzyme) in such a way that hydrogen bonds can be …

Pharmaceutical co-crystals

P Vishweshwar, JA McMahon, JA Bis… - Journal of …, 2006 - Elsevier
Crystal engineering has evolved in such a manner that it is now synonymous with the
paradigm of supramolecular synthesis, that is, it invokes self-assembly of existing molecules …

A luminescent microporous metal− organic framework for the recognition and sensing of anions

B Chen, L Wang, F Zapata, G Qian… - Journal of the …, 2008 - ACS Publications
A Luminescent Microporous Metal−Organic Framework for the Recognition and Sensing of
Anions | Journal of the American Chemical Society ACS ACS Publications C&EN CAS Find my …