Emerging and re-emerging warheads for targeted covalent inhibitors: applications in medicinal chemistry and chemical biology

M Gehringer, SA Laufer - Journal of medicinal chemistry, 2018 - ACS Publications
Targeted covalent inhibitors (TCIs) are designed to bind poorly conserved amino acids by
means of reactive groups, the so-called warheads. Currently, targeting noncatalytic cysteine …

Native chemical ligation and extended methods: mechanisms, catalysis, scope, and limitations

V Agouridas, O El Mahdi, V Diemer, M Cargoet… - Chemical …, 2019 - ACS Publications
The native chemical ligation reaction (NCL) involves reacting a C-terminal peptide thioester
with an N-terminal cysteinyl peptide to produce a native peptide bond between the two …

Electrostatic interactions in protein structure, folding, binding, and condensation

HX Zhou, X Pang - Chemical reviews, 2018 - ACS Publications
Charged and polar groups, through forming ion pairs, hydrogen bonds, and other less
specific electrostatic interactions, impart important properties to proteins. Modulation of the …

TMT labeling for the masses: a robust and cost-efficient, in-solution labeling approach*[S]

J Zecha, S Satpathy, T Kanashova… - Molecular & cellular …, 2019 - ASBMB
Isobaric stable isotope labeling using, for example, tandem mass tags (TMTs) is increasingly
being applied for large-scale proteomic studies. Experiments focusing on proteoform …

IPC–isoelectric point calculator

LP Kozlowski - Biology direct, 2016 - Springer
Background Accurate estimation of the isoelectric point (pI) based on the amino acid
sequence is useful for many analytical biochemistry and proteomics techniques such as 2-D …

H++ 3.0: automating pK prediction and the preparation of biomolecular structures for atomistic molecular modeling and simulations

R Anandakrishnan, B Aguilar… - Nucleic acids …, 2012 - academic.oup.com
The accuracy of atomistic biomolecular modeling and simulation studies depend on the
accuracy of the input structures. Preparing these structures for an atomistic modeling task …

Proteome-pI: proteome isoelectric point database

LP Kozlowski - Nucleic acids research, 2017 - academic.oup.com
Proteome-pI is an online database containing information about predicted isoelectric points
for 5029 proteomes calculated using 18 methods. The isoelectric point, the pH at which a …

Peptide‐based coacervate‐core vesicles with semipermeable membranes

M Abbas, JO Law, SN Grellscheid… - Advanced …, 2022 - Wiley Online Library
Coacervates droplets have long been considered as potential protocells to mimic living
cells. However, these droplets lack a membrane and are prone to coalescence, limiting their …

IPC 2.0: prediction of isoelectric point and pKa dissociation constants

LP Kozlowski - Nucleic Acids Research, 2021 - academic.oup.com
The isoelectric point is the pH at which a particular molecule is electrically neutral due to the
equilibrium of positive and negative charges. In proteins and peptides, this depends on the …

Arginine: Its pKa value revisited

CA Fitch, G Platzer, M Okon… - Protein …, 2015 - Wiley Online Library
Using complementary approaches of potentiometry and NMR spectroscopy, we have
determined that the equilibrium acid dissociation constant (pKa value) of the arginine …