Homology modeling in drug discovery: Overview, current applications, and future perspectives

MT Muhammed, E Aki‐Yalcin - Chemical biology & drug design, 2019 - Wiley Online Library
Homology modeling is one of the computational structure prediction methods that are used
to determine protein 3D structure from its amino acid sequence. It is considered to be the …

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 …

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 …

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 structure modeling using Modeller

N Eswar, B Webb, MA Marti‐Renom… - Current protocols in …, 2006 - Wiley Online Library
Functional characterization of a protein sequence is one of the most frequent problems in
biology. This task is usually facilitated by accurate three‐dimensional (3‐D) structure of the …

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 …

Modeller: generation and refinement of homology-based protein structure models

A Fiser, A Šali - Methods in enzymology, 2003 - Elsevier
Publisher Summary Functional characterization of a protein sequence is one of the most
frequent problems in biology. This task is usually facilitated by accurate three-dimensional …

Protein structure prediction and structural genomics

D Baker, A Sali - Science, 2001 - science.org
Genome sequencing projects are producing linear amino acid sequences, but full
understanding of the biological role of these proteins will require knowledge of their …

Comparative protein structure modeling using MODELLER

N Eswar, B Webb, MA Marti‐Renom… - Current protocols in …, 2007 - Wiley Online Library
Functional characterization of a protein sequence is a common goal in biology, and is
usually facilitated by having an accurate three‐dimensional (3‐D) structure of the studied …

B7-H4, a molecule of the B7 family, negatively regulates T cell immunity

GL Sica, IH Choi, G Zhu, K Tamada, SD Wang… - Immunity, 2003 - cell.com
We identify a B7 family molecule, B7-H4, by protein sequence analysis and comparative
molecular modeling. While B7-H4 mRNA is widely distributed in mouse and human …