Computational design of an endo-1,4- -xylanase ligand binding site

Ligand−Protein Cross-Docking with Water Molecules

(2010) Ramasamy Thilagavathi et al.   Journal of Chemical Information and Modeling

Computational reprogramming of homing endonuclease specificity at multiple adjacent base pairs

(2010) Justin Ashworth et al.   NUCLEIC ACIDS RESEARCH

Computational Design of an Enzyme Catalyst for a Stereoselective Bimolecular Diels-Alder Reaction

(2010) J. B. Siegel et al.   SCIENCE

Discovery and development of biopharmaceuticals: current issues

(2009) William R Strohl et al.   CURRENT OPINION IN BIOTECHNOLOGY

Enzyme (re)design: lessons from natural evolution and computation

(2009) John A Gerlt et al.   CURRENT OPINION IN CHEMICAL BIOLOGY

Computational tools for designing and engineering biocatalysts

(2009) Jiri Damborsky et al.   CURRENT OPINION IN CHEMICAL BIOLOGY

Computational design of affinity and specificity at protein–protein interfaces

(2009) John Karanicolas et al.   CURRENT OPINION IN STRUCTURAL BIOLOGY

Key protein-design papers challenged

(2009) Erika Check Hayden   NATURE

Computer-aided design of functional protein interactions

(2009) Daniel J Mandell et al.   Nature Chemical Biology

Enzyme millisecond conformational dynamics do not catalyze the chemical step

(2009) A. V. Pisliakov et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Computational design of ligand binding is not a solved problem

(2009) B. Schreier et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Computational design of second-site suppressor mutations at protein-protein interfaces

(2009) Deanne W. Sammond et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Designed TPR Modules as Novel Anticancer Agents

(2008) Aitziber L. Cortajarena et al.   ACS Chemical Biology

Macromolecular Modeling with Rosetta

(2008) Rhiju Das et al.   Annual Review of Biochemistry

RosettaLigand Docking with Full Ligand and Receptor Flexibility

(2008) Ian W. Davis et al.   JOURNAL OF MOLECULAR BIOLOGY

Quantum Mechanical Design of Enzyme Active Sites

(2008) Xiyun Zhang et al.   JOURNAL OF ORGANIC CHEMISTRY

Chemistry: Designer debacle

(2008) Erika Check Hayden   NATURE

Kemp elimination catalysts by computational enzyme design

(2008) Daniela Röthlisberger et al.   NATURE

Automated macromolecular model building for X-ray crystallography using ARP/wARP version 7

(2008) Gerrit Langer et al.   Nature Protocols

De Novo Computational Design of Retro-Aldol Enzymes

(2008) L. Jiang et al.   SCIENCE