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In Silico Protein Design

2006
In the last 10 yr, efforts have begun to combine the goals and approaches of computational molecular design and protein sequence analysis to provide tools for the rational mutagenesis and functional modification of proteins. These approaches use analysis of the three-dimensional structure of a protein to guide the selection of appropriate amino acid ...
openaire   +1 more source

In silico design of tubulin-targeted antimitotic peptides

Nature Chemistry, 2009
Microtubules are polymeric structures formed by the self-assembly of tubulin dimers. The growth and shrinkage of these dynamic arrays have a key role during the cell-proliferation process. This makes tubulin the molecular target of many anticancer drugs currently in use or under clinical trial.
S. Pieraccini   +7 more
openaire   +2 more sources

In silico Methods for Drug Design

Current Topics in Medicinal Chemistry, 2023
Omar, Deeb, Jia, Zhou
openaire   +2 more sources

In silico approaches to RNA aptamer design

Biochimie, 2018
RNA aptamers are ribonucleic acids that bind to specific target molecules. An RNA aptamer for a disease-related protein has great potential for development into a new drug. However, huge time and cost investments are required to develop an RNA aptamer into a pharmaceutical.
openaire   +2 more sources

In Silico PCR Primer Designing and Validation

2015
Polymerase chain reaction (PCR) is an enzymatic reaction whose efficiency and sensitivity largely depend on the efficiency of the primers that are used for the amplification of a concerned gene/DNA fragment. Selective amplification of nucleic acid molecules initially present in minute quantities provides a powerful tool for analyzing nucleic acids.
Anil, Kumar, Nikita, Chordia
openaire   +2 more sources

Structure‐Based and in silico Design of Hsp90 Inhibitors

ChemMedChem, 2009
AbstractThe molecular chaperone Hsp90 is responsible for activation and stabilization of several oncoproteins in cancer cells, and has emerged as an important target in cancer treatment because of this pivotal role. In recent years, interests have arisen around structure‐based design of small molecules aimed at inhibiting the chaperone activity of ...
M. Sgobba, RASTELLI, Giulio
openaire   +3 more sources

Databases and In Silico Tools for Vaccine Design

2013
In vaccine design, databases and in silico tools play different but complementary roles. Databases collect experimentally verified vaccines and vaccine components, and in silico tools provide computational methods to predict and design new vaccines and vaccine components.
Yongqun, He, Zuoshuang, Xiang
openaire   +2 more sources

Protocols for the In Silico Design of RNA Nanostructures

2008
Recent developments in the field of nanobiology have significantly expanded the possibilities for new modalities in the treatment of many diseases, including cancer. Ribonucleic acid (RNA) represents a relatively new molecular material for the development of these biologically oriented nanodevices. In addition, RNA nanobiology presents a relatively new
Bruce A, Shapiro   +3 more
openaire   +2 more sources

Complex In Silico RNA Design with MoiRNAiFold

In the advent of the RNA therapeutics and diagnostics era, it is of great relevance to introduce new and more efficient RNA technologies that prove to be effective tools in practical contexts. Moreover, it is of utmost importance to develop and provide access to computational tools capable of designing such RNA constructs.
Cristina, Alsina, Ivan, Dotu
openaire   +2 more sources

In Silico Design of Functional DNA Constructs

2012
The promise of synthetic biology lies in the creation of novel function from the proper combination of genetic elements. De novo gene synthesis has become a cost-effective method for building virtually any conceptualized genetic construct, removing the constraints of extant sequences, and greatly facilitating study of the relationships between gene ...
Alan, Villalobos   +2 more
openaire   +2 more sources

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