Structural families in loops of homologous proteins: automatic classification, modelling and application to antibodies

ACR Martin, JM Thornton - Journal of molecular biology, 1996 - Elsevier
Loop regions of polypeptide in homologous proteins may be classified into structural
families. A method is described by which this classification may be performed automatically …

Automated classification of antibody complementarity determining region 3 of the heavy chain (H3) loops into canonical forms and its application to protein structure …

B Oliva, PA Bates, E Querol, FX Avilés… - Journal of molecular …, 1998 - Elsevier
A computer-based algorithm was used to cluster the loops forming the complementarity
determining region (CDR) 3 of the heavy chain (H3) into canonical classes. Previous …

An automated classification of the structure of protein loops

B Oliva, PA Bates, E Querol, FX Avilés… - Journal of molecular …, 1997 - Elsevier
Conformational clusters and consensus sequences for protein loops have been derived by
computational analysis of their structures in a non-redundant set of 233 proteins with less …

Predicting antibody hypervariable loop conformation. I. Ensembles of random conformations for ringlike structures

PS Shenkin, DL Yarmush, RM Fine… - Biopolymers …, 1987 - Wiley Online Library
One approach to finding the conformation of minimum energy for a complicated molecule is
to perform energy minimization, perhaps coupled to more exhaustive search procedures …

Modeling antibody hypervariable loops: a combined algorithm.

AC Martin, JC Cheetham… - Proceedings of the …, 1989 - National Acad Sciences
To be of any value, a predicted model of an antibody combining site should have an
accuracy approaching that of antibody structures determined by x-ray crystallography (1.6 …

PDB-based protein loop prediction: parameters for selection and methods for optimization

HWT van Vlijmen, M Karplus - Journal of molecular biology, 1997 - Elsevier
An approach to loop prediction that starts with a database search is presented and
analyzed. To obtain meaningful statistics, 130 loops from 21 proteins were studied. The …

Molecular modeling of antibody combining sites.

AC Martin, JC Cheetham, AR Rees - Methods in enzymology, 1991 - europepmc.org
Each of the six CDRs of Gloop2 is shown with the modeled structure in. Overall, the results
obtained using the combined algorithm are similar in accuracy to those achieved using the …

A new clustering of antibody CDR loop conformations

B North, A Lehmann, RL Dunbrack Jr - Journal of molecular biology, 2011 - Elsevier
Previous analyses of the complementarity-determining regions (CDRs) of antibodies have
focused on a small number of “canonical” conformations for each loop. This is primarily the …

Common features of the conformations of antigen‐binding loops in immunoglobulins and application to modeling loop conformations

A Tramontano, AM Lesk - Proteins: Structure, Function, and …, 1992 - Wiley Online Library
Using database screening techniques we have examined the relationship between antigen‐
binding loops in immunoglobulins, and regions of similar conformation in other protein …

Canonical antigen-binding loop structures in immunoglobulins: more structures, more canonical classes?

K Decanniere, S Muyldermans, L Wyns - Journal of molecular biology, 2000 - Elsevier
Grafting the antigen-binding loops onto a human antibody scaffold is a widely used
technique to humanise murine antibodies. The success of this approach depends largely on …