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Laurent E Dardenne

Showing results (1-10 of 19) with videos related to

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Frontiers in Pharmacology|October 16, 2018
Empirical Scoring Functions for Structure-Based Virtual Screening: Applications, Critical Aspects, and ChallengesIsabella A Guedes, Felipe S S Pereira, Laurent E Dardenne
Biophysical Reviews|May 17, 2017
Receptor-ligand molecular dockingIsabella A Guedes, Camila S de Magalhães, Laurent E Dardenne
The Journal of Physical Chemistry. A|December 22, 2007
General methodology to optimize damping functions to account for charge penetration effects in electrostatic calculations using multicentered multipolar expansionsAraken S Werneck, Tarcísio M Rocha Filho, Laurent E Dardenne
Proteins|July 2, 2003
Electrostatic properties in the catalytic site of papain: A possible regulatory mechanism for the reactivity of the ion pairLaurent E Dardenne, Araken S Werneck, Marçal de Oliveira Neto, et al.
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 SetKarina B Santos, Isabella A Guedes, Ana L M Karl, et al.
Bioorganic & Medicinal Chemistry|July 18, 2006
Molecular docking study and development of an empirical binding free energy model for phosphodiesterase 4 inhibitorsFernanda G Oliveira, Carlos M R Sant'Anna, Ernesto R Caffarena, et al.
Journal of Molecular Graphics & Modelling|June 15, 2010
Understanding the HIV-1 protease nelfinavir resistance mutation D30N in subtypes B and C through molecular dynamics simulationsRosemberg O Soares, Paulo R Batista, Mauricio G S Costa, et al.
Memorias Do Instituto Oswaldo Cruz|February 9, 2010
A new approach for potential drug target discovery through in silico metabolic pathway analysis using Trypanosoma cruzi genome informationMarcelo Alves-Ferreira, Ana Carolina Ramos Guimarães, Priscila Vanessa da Silva Zabala Capriles, et al.
ACS Omega|March 10, 2025
Methodological Approach Based on Structural Parameters, Vibrational Frequencies, and MMFF94 Bond Charge Increments for Platinum-Based CompoundsGloria Castañeda-Valencia, Lucas F Gama, Murugesan Panneerselvam, et al.
BMC Genomics|November 2, 2010
Structural modelling and comparative analysis of homologous, analogous and specific proteins from Trypanosoma cruzi versus Homo sapiens: putative drug targets for chagas' disease treatmentPriscila V S Z Capriles, Ana C R Guimarães, Thomas D Otto, et al.
Pageof 2

Showing results (1-10 of 19) with videos related to

Sort By:
Pageof 2
Frontiers in Pharmacology|October 16, 2018
Empirical Scoring Functions for Structure-Based Virtual Screening: Applications, Critical Aspects, and ChallengesIsabella A Guedes, Felipe S S Pereira, Laurent E Dardenne
Biophysical Reviews|May 17, 2017
Receptor-ligand molecular dockingIsabella A Guedes, Camila S de Magalhães, Laurent E Dardenne
The Journal of Physical Chemistry. A|December 22, 2007
General methodology to optimize damping functions to account for charge penetration effects in electrostatic calculations using multicentered multipolar expansionsAraken S Werneck, Tarcísio M Rocha Filho, Laurent E Dardenne
Proteins|July 2, 2003
Electrostatic properties in the catalytic site of papain: A possible regulatory mechanism for the reactivity of the ion pairLaurent E Dardenne, Araken S Werneck, Marçal de Oliveira Neto, et al.
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 SetKarina B Santos, Isabella A Guedes, Ana L M Karl, et al.
Bioorganic & Medicinal Chemistry|July 18, 2006
Molecular docking study and development of an empirical binding free energy model for phosphodiesterase 4 inhibitorsFernanda G Oliveira, Carlos M R Sant'Anna, Ernesto R Caffarena, et al.
Journal of Molecular Graphics & Modelling|June 15, 2010
Understanding the HIV-1 protease nelfinavir resistance mutation D30N in subtypes B and C through molecular dynamics simulationsRosemberg O Soares, Paulo R Batista, Mauricio G S Costa, et al.
Memorias Do Instituto Oswaldo Cruz|February 9, 2010
A new approach for potential drug target discovery through in silico metabolic pathway analysis using Trypanosoma cruzi genome informationMarcelo Alves-Ferreira, Ana Carolina Ramos Guimarães, Priscila Vanessa da Silva Zabala Capriles, et al.
ACS Omega|March 10, 2025
Methodological Approach Based on Structural Parameters, Vibrational Frequencies, and MMFF94 Bond Charge Increments for Platinum-Based CompoundsGloria Castañeda-Valencia, Lucas F Gama, Murugesan Panneerselvam, et al.
BMC Genomics|November 2, 2010
Structural modelling and comparative analysis of homologous, analogous and specific proteins from Trypanosoma cruzi versus Homo sapiens: putative drug targets for chagas' disease treatmentPriscila V S Z Capriles, Ana C R Guimarães, Thomas D Otto, et al.
Pageof 2