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Frontiers in Pharmacology
|
October 16, 2018
Empirical Scoring Functions for Structure-Based Virtual Screening: Applications, Critical Aspects, and Challenges
Isabella A Guedes, Felipe S S Pereira, Laurent E Dardenne
Biophysical Reviews
|
May 17, 2017
Receptor-ligand molecular docking
Isabella A Guedes, Camila S de Magalhães, Laurent E Dardenne
Journal of Chemical Information and Modeling
|
January 11, 2020
Highly Flexible Ligand Docking: Benchmarking of the DockThor Program on the LEADS-PEP Protein-Peptide Data Set
Karina B Santos, Isabella A Guedes, Ana L M Karl, et al.
ACS Omega
|
March 10, 2025
Methodological Approach Based on Structural Parameters, Vibrational Frequencies, and MMFF94 Bond Charge Increments for Platinum-Based Compounds
Gloria Castañeda-Valencia, Lucas F Gama, Murugesan Panneerselvam, et al.
Scientific Reports
|
February 5, 2021
New machine learning and physics-based scoring functions for drug discovery
Isabella A Guedes, André M S Barreto, Diogo Marinho, et al.
Biochimica Et Biophysica Acta. Proteins and Proteomics
|
December 5, 2020
Isobenzofuran-1(3H)-ones as new tyrosinase inhibitors: Biological activity and interaction studies by molecular docking and NMR
Diego A T Pires, Isabella A Guedes, Wagner L Pereira, et al.
Journal of Molecular Graphics & Modelling
|
December 22, 2014
Structural modeling and docking studies of ribose 5-phosphate isomerase from Leishmania major and Homo sapiens: a comparative analysis for Leishmaniasis treatment
Priscila V S Z Capriles, Luiz Phillippe R Baptista, Isabella A Guedes, et al.
Chemmedchem
|
August 26, 2015
LASSBio-1829 Hydrochloride: Development of a New Orally Active N-Acylhydrazone IKK2 Inhibitor with Anti-inflammatory Properties
Isabella A Guedes, Rosana H C N Freitas, Natália M Cordeiro, et al.
Chemical Biology & Drug Design
|
August 18, 2017
Discovery of naphthyl-N-acylhydrazone p38α MAPK inhibitors with in vivo anti-inflammatory and anti-TNF-α activity
Rosana H C N Freitas, Natália M Cordeiro, Patrícia R Carvalho, et al.
Scientific Reports
|
March 11, 2021
Drug design and repurposing with DockThor-VS web server focusing on SARS-CoV-2 therapeutic targets and their non-synonym variants
Isabella A Guedes, Leon S C Costa, Karina B Dos Santos, et al.
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Search research articles
Search
Showing results (1-10 of 11) with videos related to
Sort By:
Page
of 2
Frontiers in Pharmacology
|
October 16, 2018
Empirical Scoring Functions for Structure-Based Virtual Screening: Applications, Critical Aspects, and Challenges
Isabella A Guedes, Felipe S S Pereira, Laurent E Dardenne
Biophysical Reviews
|
May 17, 2017
Receptor-ligand molecular docking
Isabella A Guedes, Camila S de Magalhães, Laurent E Dardenne
Journal of Chemical Information and Modeling
|
January 11, 2020
Highly Flexible Ligand Docking: Benchmarking of the DockThor Program on the LEADS-PEP Protein-Peptide Data Set
Karina B Santos, Isabella A Guedes, Ana L M Karl, et al.
ACS Omega
|
March 10, 2025
Methodological Approach Based on Structural Parameters, Vibrational Frequencies, and MMFF94 Bond Charge Increments for Platinum-Based Compounds
Gloria Castañeda-Valencia, Lucas F Gama, Murugesan Panneerselvam, et al.
Scientific Reports
|
February 5, 2021
New machine learning and physics-based scoring functions for drug discovery
Isabella A Guedes, André M S Barreto, Diogo Marinho, et al.
Biochimica Et Biophysica Acta. Proteins and Proteomics
|
December 5, 2020
Isobenzofuran-1(3H)-ones as new tyrosinase inhibitors: Biological activity and interaction studies by molecular docking and NMR
Diego A T Pires, Isabella A Guedes, Wagner L Pereira, et al.
Journal of Molecular Graphics & Modelling
|
December 22, 2014
Structural modeling and docking studies of ribose 5-phosphate isomerase from Leishmania major and Homo sapiens: a comparative analysis for Leishmaniasis treatment
Priscila V S Z Capriles, Luiz Phillippe R Baptista, Isabella A Guedes, et al.
Chemmedchem
|
August 26, 2015
LASSBio-1829 Hydrochloride: Development of a New Orally Active N-Acylhydrazone IKK2 Inhibitor with Anti-inflammatory Properties
Isabella A Guedes, Rosana H C N Freitas, Natália M Cordeiro, et al.
Chemical Biology & Drug Design
|
August 18, 2017
Discovery of naphthyl-N-acylhydrazone p38α MAPK inhibitors with in vivo anti-inflammatory and anti-TNF-α activity
Rosana H C N Freitas, Natália M Cordeiro, Patrícia R Carvalho, et al.
Scientific Reports
|
March 11, 2021
Drug design and repurposing with DockThor-VS web server focusing on SARS-CoV-2 therapeutic targets and their non-synonym variants
Isabella A Guedes, Leon S C Costa, Karina B Dos Santos, et al.
Page
of 2