The process for drug discovery and development is challenging, time consuming and
expensive. Computer-aided drug discovery (CADD) tools can act as a virtual shortcut …

The objective of this review is to enable researchers to use the software package Rosetta for
biochemical and biomedicinal studies. We provide a brief review of the six most frequent …

The evolutionary trajectory of a protein through sequence space is constrained by its
function. Collections of sequence homologs record the outcomes of millions of evolutionary …

Accurately predicting peptide secondary structures remains a challenging task due to the
lack of discriminative information in short peptides. In this study, PHAT is proposed, a deep …

We have developed TM-align, a new algorithm to identify the best structural alignment
between protein pairs that combines the TM-score rotation matrix and Dynamic …

Abstract The Robetta server (http://robetta. bakerlab. org) provides automated tools for
protein structure prediction and analysis. For structure prediction, sequences submitted to …

Rational peptide design and large-scale prediction of peptide structure from sequence
remain a challenge for chemical biologists. We present PEP-FOLD, an online service, aimed …

Protein folding is considered here by studying the dynamics of the folding of the triple β-
strand WW domain from the Formin-binding protein 28. Starting from the unfolded state and …

Predicting one-dimensional structure properties has played an important role to improve
prediction of protein three-dimensional structures and functions. The most commonly …

Porter is a new system for protein secondary structure prediction in three classes. Porter
relies on bidirectional recurrent neural networks with shortcut connections, accurate coding …