This review on continuum solvation models has been preceded in Chemical Reviews by
others addressing the same subject. They are due to Tomasi and Persico1 (published in …

DNA replication is a key function of the growing cell and part of repair, recombination and
transposition processes. Although biochemical analysis of the progress of a replication fork …

Scoring functions are essential for modern in silico drug discovery. However, the accurate
prediction of binding affinity by scoring functions remains a challenging task. The …

Publisher Summary This chapter discusses the structure and function of DNA. DNA occupies
a critical role in cells, because it is the source of all intrinsic genetic information. Chemically …

In complex systems with many degrees of freedom such as peptides and proteins, there
exists a huge number of local‐minimum‐energy states. Conventional simulations in the …

In bacterial defense and genome editing applications, the CRISPR-associated protein Cas9
searches millions of DNA base pairs to locate a 20-nucleotide, guide RNA-complementary …

The environment plays a key role in the determination of the properties and reactivity of
substances in condensed phases. The complexity of chemical phenomena in solution has …

DNA was selected over the course of evolution as the ideal molecule for coding and storing
the genetic blueprint of life. One primary driving force for selecting DNA as the repository for …

A solvation term based on the solvent accessible surface area (SASA) is combined with the
CHARMM polar hydrogen force field for the efficient simulation of peptides and small …

One of the best-studied DNA repair pathways is nucleotide excision repair, a process
consisting of DNA damage recognition, incision, excision, repair resynthesis, and DNA …