Natural products containing 'rare'organophosphorus functional groups

JJ Petkowski, W Bains, S Seager - Molecules, 2019 - mdpi.com
Phosphorous-containing molecules are essential constituents of all living cells. While the
phosphate functional group is very common in small molecule natural products, nucleic …

Hydration of proteins and nucleic acids: advances in experiment and theory. A review

L Biedermannová, B Schneider - Biochimica et Biophysica Acta (BBA) …, 2016 - Elsevier
Background Most biological processes involve water, and the interactions of biomolecules
with water affect their structure, function and dynamics. Scope of review This review …

RPI-Pred: predicting ncRNA-protein interaction using sequence and structural information

V Suresh, L Liu, D Adjeroh, X Zhou - Nucleic acids research, 2015 - academic.oup.com
RNA-protein complexes are essential in mediating important fundamental cellular
processes, such as transport and localization. In particular, ncRNA-protein interactions play …

DNAproDB: an interactive tool for structural analysis of DNA–protein complexes

JM Sagendorf, HM Berman, R Rohs - Nucleic acids research, 2017 - academic.oup.com
Many biological processes are mediated by complex interactions between DNA and
proteins. Transcription factors, various polymerases, nucleases and histones recognize and …

PDB-2-PBv3. 0: An updated protein block database

MP Karuppasamy, S Venkateswaran… - … of Bioinformatics and …, 2020 - World Scientific
Our protein block (PB) sequence database PDB-2-PBv1. 0 provides PB sequences and
dihedral angles for 74,297 protein structures comprising of 103,252 protein chains of Protein …

[PDF][PDF] Local dynamics of proteins and DNA evaluated from crystallographic B factors

B Schneider, JC Gelly, AG de Brevern… - … Section D: Biological …, 2014 - journals.iucr.org
The dynamics of protein and nucleic acid structures is as important as their average static
picture. The local molecular dynamics concealed in diffraction images is expressed as so …

[PDF][PDF] Structural alphabets for conformational analysis of nucleic acids available at dnatco. datmos. org

J Černý, P Božíková, M Malý, M Tykač… - … Section D: Structural …, 2020 - journals.iucr.org
A detailed description of the dnatco. datmos. org web server implementing the universal
structural alphabet of nucleic acids is presented. It is capable of processing any mmCIF-or …

[PDF][PDF] Knowledge-based prediction of DNA hydration using hydrated dinucleotides as building blocks

L Biedermannová, J Černý, M Malý… - … Section D: Structural …, 2022 - journals.iucr.org
Water plays an important role in stabilizing the structure of DNA and mediating its
interactions. Here, the hydration of DNA was analyzed in terms of dinucleotide fragments …

Discrete analyses of protein dynamics

TJ Narwani, P Craveur, NK Shinada… - Journal of …, 2020 - Taylor & Francis
Protein structures are highly dynamic macromolecules. This dynamics is often analysed
through experimental and/or computational methods only for an isolated or a limited number …

Unravelling protein–DNA interactions at molecular level: a DFT and NCI study

J González, I Banos, I León… - Journal of Chemical …, 2016 - ACS Publications
Histone–DNA interactions were probed computationally at a molecular level, by
characterizing the bimolecular clusters constituted by selected amino acid derivatives with …