Three-dimensional protein structure is directly correlated with its function and its
determination is critical to understanding biological processes and addressing human …

Computer-aided drug design (CADD) is an emerging field that has drawn a lot of interest
because of its potential to expedite and lower the cost of the drug development process …

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 …

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 …

The PSIPRED protein structure prediction server allows users to submit a protein sequence,
perform a prediction of their choice and receive the results of the prediction both textually via …

▪ 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 …

Protein structures in the Protein Data Bank provide a wealth of data about the interactions
that determine the native states of proteins. Using the probability theory, we derive an atomic …

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 …

In protein structure prediction, a considerable number of alternative models are usually
produced from which subsequently the final model has to be selected. Thus, a scoring …

Of the sequence comparison methods, profile-based methods perform with greater
selectively than those that use pairwise comparisons. Of the profile methods, hidden Markov …