… for predicting the affinity of a small molecule with a protein or other biomolecule play a … For
predicting the free energy of binding, we not only used the original LIE equation, but also we …

… a CPN and were able to predict theprobability distribution of the … of the physics of biomolecules
and biological systems, such as … For a recent review of the different available strategies I …

… analogues: a systematic comparison of biomolecular force elds and water models. … predict
protein folding kinetics and thermodynamics? Annual Review of Biophysics and Biomolecular …

… review will be focused on recent published work and new technologies. Other than those,
this review … analysis and theoretical predictions of biomolecular structures and functions, …

… In our case, this particular feature allowed the prediction of immunogenic epitopes with
high affinity for the major histocompatibility complex haplotypes type I. Additionally, conserved …

… methods to study the binding characteristics of peptide probes and target molecules. Those
algorithms could be used to predict the binding affinity of protein targets against peptides. …

… build the prediction model for mixture toxicity, luciferase is treated as the biomolecular receptor
… This study demonstrates that CA and IA are suitable for predicting the toxicity of mixtures …

… through the precise control on the biomolecules (eg, proteins, … bioaccumulation cannot be
easily predicted or derived based … In this review, we addressed these complicated phenomena …

… Along the lines of protein engineering, this paper reviews the progress and applications
of computer-assisted protein design, and current trends and outlooks of the development. …