Computational Molecular Biology
Mostrando 1-12 de 46 artigos, teses e dissertações.
-
1. RM1 Semiempirical Model: Chemistry, Pharmaceutical Research, Molecular Biology and Materials Science
In this review, we show improvements to the semiempirical quantum chemical method RM1 and present a wide range of its applications as reported by researchers of various areas, such as theoretical, organic, physical, analytical, and inorganic chemistry, as well as their interfaces with medicinal chemistry, biology, and materials science. Success of RM1 is see
J. Braz. Chem. Soc.. Publicado em: 2019-04
-
2. From Medicinal Chemistry to Human Health: Current Approaches to Drug Discovery for Cancer and Neglected Tropical Diseases
ABSTRACT Scientific and technological breakthroughs have compelled the current players in drug discovery to increasingly incorporate knowledge-based approaches. This evolving paradigm, which has its roots attached to the recent advances in medicinal chemistry, molecular and structural biology, has unprecedentedly demanded the development of up-to-date comput
An. Acad. Bras. Ciênc.. Publicado em: 15/02/2018
-
3. DNA for nano-bio scale computation of chemical formalisms using Higher Order Logic (HOL) and analysis using an interdisciplinary approach
Bio-molecular computing, 'computations performed by bio-molecules', is already challenging traditional approaches to computation both theoretically and technologically. Often placed within the wider context of ´bio-inspired' or 'natural' or even 'unconventional' computing, the study of natural and artificial molecular computations is adding to our understan
Mat. Res.. Publicado em: 04/07/2014
-
4. Genoma comparison problems / Problemas de comparação de genomas
Esta tese aborda três aspectos da comparação entre genomas: primeiro, eventos de transposição; segundo, eventos de reversão e de reversão quase-simétrica; terceiro, estudo da distância entre genomas sem ligação com algum tipo específico de rearranjo. O estudo do primeiro aspecto, eventos de transposição, permitiu a criação de um novo algoritm
IBICT - Instituto Brasileiro de Informação em Ciência e Tecnologia. Publicado em: 08/02/2012
-
5. Desenvolvimento de um algoritmo para identificação e caracterização de cavidades em regiões específicas de estruturas tridimensionais de proteínas / Development of an algorithm to identify and characterize cavities in specific regions of three-dimensional structures of proteins.
The identification and characterization of geometrical and physical-chemical properties in protein vacant spaces aggregates important information for steering rational drug designing and functional characterization of binding and catalytic sites. Therefore, several softwares have been develop during the past two decades in order to perform such characterizat
IBICT - Instituto Brasileiro de Informação em Ciência e Tecnologia. Publicado em: 25/05/2011
-
6. A pipeline to study structural interactions among Spodoptera frugiperda serine proteinases and plant proteinase inhibitors.
We propose here a computational biology pipeline to identify and analyze possible structural determinants that could explain some level of insensitivity by S. frugiperda serine proteinases (SPs) against plant PIs observed in a real time PCR experiment.
CONGRESSO BRASILEIRO DE GENÉTICA. Publicado em: 2011
-
7. CNBi: the new Brazilian National Consortium for Bioinformatics.
PRESENTATION: The National Consortium for Bioinformatics (CNBi) is a multidisciplinary center dedicated to research, development, management and technical support on questions arising from bioinformatics. It was created by a joint effort between three laboratories from São Paulo state in Brazil: the Genomic and Expression Laboratory (UNICAMP), Applied Bioin
INTERNATIONAL CONFERENCE OF THE BRAZILIAN ASSOCIATION FOR BIOINFORMATICS AND COMPUTATIONAL BIOLOGY. Publicado em: 2011
-
8. Protein structure comparison via contact map alignment / Protein structure comparison via contact map alignment
Proteins are primary components in almost all biological processes in living organisms. It is known that the variety of protein functions is a result of the differences in protein structures. Therefore, understanding and comparing the structure of proteins is a major challenge in modern molecular biology. The structural alignment and comparison of proteins b
IBICT - Instituto Brasileiro de Informação em Ciência e Tecnologia. Publicado em: 05/02/2010
-
9. Enumeração de traces e identificação de breakpoints : estudo de aspectos da evolução / Enumeration of traces and breakpoint identification : study of evolutionary aspects
O estudo de rearranjo de genomas tem o objetivo de auxiliar o entendimento da evolução. Através da análise dos eventos de mutação como inversões, transposições, fissões, fusões, entre outros, buscamos compreender as suas influências sobre o fenômeno da diferenciação das espécies. Dentro deste contexto, esta tese ataca dois temas distintos: a
Publicado em: 2010
-
10. Polimorfismos dos genes HLA e regiões promotoras do TNF- alfa -238 e -308 como fatores de sucetibilidade a psoriase e gravidade da doença / HLA and TNF-Alpha promoter regions -238 and -308 polymorphisms and marks of susceptibility to psoriasis and severety of the disease
Psoriasis is an erythematous, scaly inflammatory dermatosis with a complex immunologic basis. The strongest genetic marker for psoriasis is HLA-Cw*06. Polymorphisms in the TNF-a promoter region, especially replacement of guanine with adenine in positions -238 and -308 are related to higher TNF-a production and higher risk for psoriasis in Caucasoid populatio
Publicado em: 2009
-
11. Uso de técnicas computacionais no estudo da transcrição e regulação gênica em Homo sapiens e Mus musculus / Use of computational methods to study the transcription and gene regulation in Homo sapiens and Mus musculus
Genes, nucleotide sequences necessary for the synthesis of functional molecules, are transcribed and regulated by extremely complex cellular and molecular processes. To understand when and in which tissues the genes are expressed, their functional isoforms, control regions and the factors involved in gene regulation is one of major challenges of modern molec
Publicado em: 2008
-
12. SimAffling um ambiente computacional para suporte e simulação do processo de DNA shuffling
The Molecular Evolution of the living organisms is a slow process that occurs over the years producing mutations and recombinations at the genetic material, i.e. at the DNA. The mutations can occur as nucleotide remotion, insertion and/or substitution at the DNA chain. The Directed Molecular Evolution is an in vitro process that tries to improve biological f
Publicado em: 2008