Search research articles
Contact Us
Filters
Showing results (41-50 of 215) with videos related to
Page
of 22
Sort By:
Journal of Chemical Theory and Computation
|
November 26, 2015
A Novel Approach for Deriving Force Field Torsion Angle Parameters Accounting for Conformation-Dependent Solvation Effects
Marie Zgarbová, F Javier Luque, Jiří Šponer, et al.
Journal of Computational Chemistry
|
August 19, 2006
Dispersion and repulsion contributions to the solvation free energy: comparison of quantum mechanical and classical approaches in the polarizable continuum model
Carles Curutchet, Modesto Orozco, F Javier Luque, et al.
Organic & Biomolecular Chemistry
|
May 27, 2011
First asymmetric cascade reaction catalysed by chiral primary aminoalcohols
Carlos Arróniz, Carmen Escolano, F Javier Luque, et al.
Journal of the American Chemical Society
|
March 31, 2005
Structure, recognition properties, and flexibility of the DNA.RNA hybrid
Agnes Noy, Alberto Pérez, Manuel Márquez, et al.
Journal of Computer-Aided Molecular Design
|
April 4, 2024
On the relevance of query definition in the performance of 3D ligand-based virtual screening
Javier Vázquez, Ricardo García, Paula Llinares, et al.
Journal of Computational Chemistry
|
December 17, 2002
Transferability of fragmental contributions to the octanol/water partition coefficient: an NDDO-based MST study
C Curutchet, A Salichs, X Barril, et al.
Molecules (Basel, Switzerland)
|
October 20, 2020
Merging Ligand-Based and Structure-Based Methods in Drug Discovery: An Overview of Combined Virtual Screening Approaches
Javier Vázquez, Manel López, Enric Gibert, et al.
Journal of Computational Chemistry
|
April 12, 2002
Hydrophobic similarity between molecules: a MST-based hydrophobic similarity index
J Muñoz, X Barril, B Hernández, et al.
Current Pharmaceutical Design
|
November 17, 2004
Molecular modelling approaches to the design of acetylcholinesterase inhibitors: new challenges for the treatment of Alzheimer's disease
J Muñoz-Muriedas, J M Lopez, Modesto Orozco, et al.
Journal of Medicinal Chemistry
|
August 20, 2004
Modulation of binding strength in several classes of active site inhibitors of acetylcholinesterase studied by comparative binding energy analysis
Sonsoles Martín-Santamaría, Jordi Muñoz-Muriedas, F Javier Luque, et al.
Page
of 22
Search research articles
Search
Showing results (41-50 of 215) with videos related to
Sort By:
Page
of 22
Journal of Chemical Theory and Computation
|
November 26, 2015
A Novel Approach for Deriving Force Field Torsion Angle Parameters Accounting for Conformation-Dependent Solvation Effects
Marie Zgarbová, F Javier Luque, Jiří Šponer, et al.
Journal of Computational Chemistry
|
August 19, 2006
Dispersion and repulsion contributions to the solvation free energy: comparison of quantum mechanical and classical approaches in the polarizable continuum model
Carles Curutchet, Modesto Orozco, F Javier Luque, et al.
Organic & Biomolecular Chemistry
|
May 27, 2011
First asymmetric cascade reaction catalysed by chiral primary aminoalcohols
Carlos Arróniz, Carmen Escolano, F Javier Luque, et al.
Journal of the American Chemical Society
|
March 31, 2005
Structure, recognition properties, and flexibility of the DNA.RNA hybrid
Agnes Noy, Alberto Pérez, Manuel Márquez, et al.
Journal of Computer-Aided Molecular Design
|
April 4, 2024
On the relevance of query definition in the performance of 3D ligand-based virtual screening
Javier Vázquez, Ricardo García, Paula Llinares, et al.
Journal of Computational Chemistry
|
December 17, 2002
Transferability of fragmental contributions to the octanol/water partition coefficient: an NDDO-based MST study
C Curutchet, A Salichs, X Barril, et al.
Molecules (Basel, Switzerland)
|
October 20, 2020
Merging Ligand-Based and Structure-Based Methods in Drug Discovery: An Overview of Combined Virtual Screening Approaches
Javier Vázquez, Manel López, Enric Gibert, et al.
Journal of Computational Chemistry
|
April 12, 2002
Hydrophobic similarity between molecules: a MST-based hydrophobic similarity index
J Muñoz, X Barril, B Hernández, et al.
Current Pharmaceutical Design
|
November 17, 2004
Molecular modelling approaches to the design of acetylcholinesterase inhibitors: new challenges for the treatment of Alzheimer's disease
J Muñoz-Muriedas, J M Lopez, Modesto Orozco, et al.
Journal of Medicinal Chemistry
|
August 20, 2004
Modulation of binding strength in several classes of active site inhibitors of acetylcholinesterase studied by comparative binding energy analysis
Sonsoles Martín-Santamaría, Jordi Muñoz-Muriedas, F Javier Luque, et al.
Page
of 22