Robotic QM/MM-driven maturation of antibody combining sites

Author:

Smirnov Ivan V.1,Golovin Andrey V.2ORCID,Chatziefthimiou Spyros D.3ORCID,Stepanova Anastasiya V.1,Peng Yingjie4,Zolotareva Olga I.2,Belogurov Alexey A.1,Kurkova Inna N.1,Ponomarenko Natalie A.1,Wilmanns Matthias3,Blackburn G. Michael5ORCID,Gabibov Alexander G.12,Lerner Richard A.4

Affiliation:

1. Shemyakin-Ovchinnikov Institute of Bioorganic Chemistry, Russian Academy of Sciences, ulitsa Miklukho‐Maklaya 16/10, 117997 Moscow V-437, Russian Federation.

2. Lomonosov Moscow State University, Moscow 119991, Russian Federation.

3. European Molecular Biology Laboratory, Hamburg Unit, c/o German Synchrotron Research Center, Notkestrasse 85, 22603 Hamburg, Germany.

4. Department of Chemistry, The Scripps Research Institute, 10550 North Torrey Pines Road MB-10, La Jolla, CA 92037, USA.

5. Krebs Institute, Department of Molecular Biology and Biotechnology, University of Sheffield, Western Bank, Sheffield S10 2TN, U.K.

Abstract

Robotic QM/MM maturation in silico markedly improved targeted Ig reactivity.

Publisher

American Association for the Advancement of Science (AAAS)

Subject

Multidisciplinary

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