Protocols for molecular modeling with Rosetta3 and RosettaScripts
Previously, we published an article providing an overview of the Rosetta suite of
biomacromolecular modeling software and a series of step-by-step tutorials [Kaufmann, KW …
biomacromolecular modeling software and a series of step-by-step tutorials [Kaufmann, KW …
Protein folding and de novo protein design for biotechnological applications
In the postgenomic era, the medical/biological fields are advancing faster than ever.
However, before the power of full-genome sequencing can be fully realized, the connection …
However, before the power of full-genome sequencing can be fully realized, the connection …
Modeling immunity with Rosetta: methods for antibody and antigen design
Structure-based antibody and antigen design has advanced greatly in recent years, due not
only to the increasing availability of experimentally determined structures but also to …
only to the increasing availability of experimentally determined structures but also to …
Antibody conjugates with unnatural amino acids
TJ Hallam, E Wold, A Wahl, VV Smider - Molecular pharmaceutics, 2015 - ACS Publications
Antibody conjugates are important in many areas of medicine and biological research, and
antibody–drug conjugates (ADCs) are becoming an important next generation class of …
antibody–drug conjugates (ADCs) are becoming an important next generation class of …
The origin of CDR H3 structural diversity
Antibody complementarity determining region (CDR) H3 loops are critical for adaptive
immunological functions. Although the other five CDR loops adopt predictable canonical …
immunological functions. Although the other five CDR loops adopt predictable canonical …
Blind prediction performance of RosettaAntibody 3.0: grafting, relaxation, kinematic loop modeling, and full CDR optimization
ABSTRACT Antibody Modeling Assessment II (AMA‐II) provided an opportunity to
benchmark RosettaAntibody on a set of 11 unpublished antibody structures …
benchmark RosettaAntibody on a set of 11 unpublished antibody structures …
Antibody informatics for drug discovery
H Shirai, C Prades, R Vita, P Marcatili, B Popovic… - … et Biophysica Acta (BBA …, 2014 - Elsevier
More and more antibody therapeutics are being approved every year, mainly due to their
high efficacy and antigen selectivity. However, it is still difficult to identify the antigen, and …
high efficacy and antigen selectivity. However, it is still difficult to identify the antigen, and …
Genetic incorporation of l-dihydroxyphenylalanine (DOPA) biosynthesized by a tyrosine phenol-lyase
L-Dihydroxyphenylalanine (DOPA) was biosynthesized by a tyrosine-phenol lyase from
catechol, pyruvate, and ammonia in Escherichia coli, and the biosynthesized amino acid …
catechol, pyruvate, and ammonia in Escherichia coli, and the biosynthesized amino acid …
Combining experimental techniques with molecular dynamics to investigate the impact of different enzymatic hydrolysis of β-lactoglobulin on the antigenicity reduction
XX Yu, WY Liang, JY Yin, Q Zhou, DM Chen, YH Zhang - Food Chemistry, 2021 - Elsevier
Abstract β-Lactoglobulin (β-LG) is one of the major food allergens. Enzymatic hydrolysis is a
promising strategy to reduce the antigenicity of β-LG in industrial production. The …
promising strategy to reduce the antigenicity of β-LG in industrial production. The …
Accurate structure prediction of CDR H3 loops enabled by a novel structure-based C-terminal constraint
Ab structure prediction has made great strides, but accurately modeling CDR H3 loops
remains elusive. Unlike the other five CDR loops, CDR H3 does not adopt canonical …
remains elusive. Unlike the other five CDR loops, CDR H3 does not adopt canonical …