Comparative protein structure modeling of genes and genomes

MA Martí-Renom, AC Stuart, A Fiser… - Annual review of …, 2000 - annualreviews.org
▪ Abstract Comparative modeling predicts the three-dimensional structure of a given protein
sequence (target) based primarily on its alignment to one or more proteins of known …

Conformations of immunoglobulin hypervariable regions

C Chothia, AM Lesk, A Tramontano, M Levitt… - Nature, 1989 - nature.com
On the basis of comparative studies of known antibody structures and sequences it has
been argued that there is a small repertoire of main-chain conformations for at least five of …

Comparative protein structure modeling using MODELLER

B Webb, A Sali - Current protocols in bioinformatics, 2016 - Wiley Online Library
Comparative protein structure modeling predicts the three‐dimensional structure of a given
protein sequence (target) based primarily on its alignment to one or more proteins of known …

Comparative protein modelling by satisfaction of spatial restraints

A Šali, TL Blundell - Journal of molecular biology, 1993 - Elsevier
We describe a comparative protein modelling method designed to find the most probable
structure for a sequence given its alignment with related structures. The three dimensional …

Modeling of loops in protein structures

A Fiser, RKG Do, A Šali - Protein science, 2000 - Wiley Online Library
Comparative protein structure prediction is limited mostly by the errors in alignment and loop
modeling. We describe here a new automated modeling technique that significantly …

Standard conformations for the canonical structures of immunoglobulins

B Al-Lazikani, AM Lesk, C Chothia - Journal of molecular biology, 1997 - Elsevier
A comparative analysis of the main-chain conformation of the L1, L2, L3, H1 and H2
hypervariable regions in 17 immunoglobulin structures that have been accurately …

Crystal structure of the soluble human 55 kd TNF receptor-human TNFβ complex: implications for TNF receptor activation

DW Banner, A D'Arcy, W Janes, R Gentz… - Cell, 1993 - cell.com
The X-ray crystal structure of the complex of the extracellular domain of the human 55 kd
tumor necrosis factor (TNF) receptor with human TNFf3 has been determined at 2.85 A …

Calculation of conformational ensembles from potentials of mena force: an approach to the knowledge-based prediction of local structures in globular proteins

MJ Sippl - Journal of molecular biology, 1990 - Elsevier
We present a prototype of a new approach to the folding problem of polypeptide chains. This
apprach is based on the analysis of known protein structures. It derives the energy potentials …

PROMOTIF—a program to identify and analyze structural motifs in proteins

EG Hutchinson, JM Thornton - Protein Science, 1996 - Wiley Online Library
We describe a suite of programs, PROMOTIF, that analyzes a protein coordinate file and
provides details about the structural motifs in the protein. The program currently analyzes the …

Testing the conformational hypothesis of passive membrane permeability using synthetic cyclic peptide diastereomers

T Rezai, B Yu, GL Millhauser… - Journal of the …, 2006 - ACS Publications
Little is known about the effect of conformation on passive membrane diffusion rates in small
molecules. Evidence suggests that intramolecular hydrogen bonding may play a role by …