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List of works by Joel B Alderete

A QM/MM approach on the structural and stereoelectronic factors governing glycosylation by GTF-SI from Streptococcus mutans

scientific article published on 20 March 2018

Binding free energy calculations on E-selectin complexes with sLex oligosaccharide analogs

scientific article

Density-functional study on the equilibria in the ThDP activation ⬇️

scientific article published on May 11, 2011

In Silico Design of Novel Mutant Anti-MUC1 Aptamers for Targeted Cancer Therapy

scientific article published on 04 November 2019

Mechanism of PAMAM Dendrimers Internalization in Hippocampal Neurons

scientific article published on 24 August 2016

Modulation of lateral and longitudinal interdimeric interactions in microtubule models by Laulimalide and Peloruside A association. A molecular modeling approach on the mechanism of microtubule stabilizing agents

scientific article published on 6 January 2018

Molecular modeling simulation studies reveal new potential inhibitors against HPV E6 protein

scientific article published on 15 March 2019

Molecular modeling study on the differential microtubule-stabilizing effect in singly- and doubly-bonded complexes with peloruside A and paclitaxel

scientific article published on 23 April 2019

On the aggregation state and QSPR models. The solubility of herbicides as a case study

scientific article published in May 2004

Polyamidoamine-based nanovector for the efficient delivery of methotrexate to U87 glioma cells

scientific article published on 19 October 2020

Prevention of Synaptic Alterations and Neurotoxic Effects of PAMAM Dendrimers by Surface Functionalization

scientific article published on 25 December 2017

Structural insight into the role of Gln293Met mutation on the Peloruside A/Laulimalide association with αβ-tubulin from molecular dynamics simulations, binding free energy calculations and weak interactions analysis

scientific article published on 09 June 2017

Structure activity relationship, acute toxicity and cytotoxicity of antimycobacterial neolignan analogues

scientific article published on 19 May 2011

The role of conserved arginine in the GH70 family: a computational study of the structural features and their implications on the catalytic mechanism of GTF-SI from Streptoccocus mutans

scientific article published on 01 June 2019

Theoretical calculations on the tautomerism of uric acid in gas phase and aqueous solution

article

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