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List of works by Mauricio Garcia de Souza Costa

A New Strategy for Atomic Flexible Fitting in Cryo-EM Maps by Molecular Dynamics with Excited Normal Modes (MDeNM-EMfit)

scientific article published on 28 January 2020

Binding sites and hydrophobic pockets in Human Thioredoxin 1 determined by normal mode analysis.

scientific article

Cofactor-dependent conformational heterogeneity of GAD65 and its role in autoimmunity and neurotransmitter homeostasis

scientific article

Computational engineering of cellulase Cel9A-68 functional motions through mutations in its linker region.

scientific article published on 2 March 2018

Conformational Equilibrium of CDK/Cyclin Complexes by Molecular Dynamics with Excited Normal Modes

scientific article

Direct and indirect mechanisms of KLK4 inhibition revealed by structure and dynamics

scientific article

Dynamic Motion and Communication in the Streptococcal C1 Phage Lysin, PlyC

scientific article (publication date: 2015)

Dynamics on human Toll-like receptor 4 complexation to MD-2: the coreceptor stabilizing function

scientific article published on 01 February 2015

Exploring free energy landscapes of large conformational changes: molecular dynamics with excited normal modes.

scientific article published on June 2015

Ghrelin receptor conformational dynamics regulate the transition from a preassembled to an active receptor:Gq complex

scientific article

Glycosylation effects on the structure and dynamics of a full-length Cel7A cellulase

scientific article published on 04 July 2019

High temperatures enhance cooperative motions between CBM and catalytic domains of a thermostable cellulase: mechanism insights from essential dynamics

scientific article published on 29 June 2011

How does heparin prevent the pH inactivation of cathepsin B? Allosteric mechanism elucidated by docking and molecular dynamics

scientific article

How pyridoxal 5'-phosphate differentially regulates human cytosolic and mitochondrial serine hydroxymethyltransferase oligomeric state

scientific article

Identification of Potential Allosteric Binding Sites in Cathepsin K Based on Intramolecular Communication

scientific article published on 18 July 2020

Impact of M36I polymorphism on the interaction of HIV-1 protease with its substrates: insights from molecular dynamics

scientific article published on 27 October 2014

Modeling the zing finger protein SmZF1 from Schistosoma mansoni: Insights into DNA binding and gene regulation.

scientific article published on 23 October 2012

Reactive centre loop dynamics and serpin specificity

scientific article published on 07 March 2019

Risk Reduction Strategies in Breast Cancer Prevention

Smoothing a rugged protein folding landscape by sequence-based redesign

scientific article published on 26 September 2016

Structural and dynamic insights into the C-terminal extension of cysteine proteinase B from Leishmania amazonensis

scientific article

Understanding the HIV-1 protease nelfinavir resistance mutation D30N in subtypes B and C through molecular dynamics simulations

scientific article published on 11 June 2010

Unraveling RNA dynamical behavior of TPP riboswitches: a comparison between Escherichia coli and Arabidopsis thaliana

scientific article published on 12 March 2019

Unraveling the molecular mechanisms of nitrogenase conformational protection against oxygen in diazotrophic bacteria

scientific article

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