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Journal of Computational Chemistry
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January 11, 2025
Extending the MST Model to Large Biomolecular Systems: Parametrization of the ddCOSMO-MST Continuum Solvation Model
R D Cunha, S Romero-Téllez, F Lipparini, et al.
Journal of Computational Chemistry
|
January 28, 2016
Development and validation of hydrophobic molecular fields derived from the quantum mechanical IEF/PCM-MST solvation models in 3D-QSAR
Tiziana Ginex, Jordi Muñoz-Muriedas, Enric Herrero, et al.
Advances in Protein Chemistry and Structural Biology
|
August 29, 2016
Structural Plasticity in Globins: Role of Protein Dynamics in Defining Ligand Migration Pathways
C Estarellas, L Capece, C Seira, et al.
Proteins
|
December 18, 2008
High pressure reveals structural determinants for globin hexacoordination: neuroglobin and myoglobin cases
L Capece, M A Marti, A Bidon-Chanal, et al.
Journal of Environmental Management
|
March 5, 2013
Water resources management in southern Europe: clues for a research and innovation based regional hypercluster
G Martins, A G Brito, R Nogueira, et al.
Journal of Medicinal Chemistry
|
May 27, 1994
DNA sequence-specific reading by echinomycin: role of hydrogen bonding and stacking interactions
J Gallego, F J Luque, M Orozco, et al.
Proteins
|
December 18, 2001
Classical molecular interaction potentials: improved setup procedure in molecular dynamics simulations of proteins
J L Gelpí, S G Kalko, X Barril, et al.
Journal of Materials Chemistry. B
|
April 9, 2020
Tuning the local solvent composition at a drug carrier surface: the effect of dimethyl sulfoxide/water mixture on the photofunctional properties of hypericin-β-lactoglobulin complexes
P Delcanale, B Rodríguez-Amigo, J Juárez-Jiménez, et al.
Journal of Medicinal Chemistry
|
December 14, 2001
Synthesis, in vitro pharmacology, and molecular modeling of syn-huprines as acetylcholinesterase inhibitors
P Camps, E Gómez, D Muñoz-Torrero, et al.
Bioinformatics (Oxford, England)
|
July 16, 2002
Ligand-induced changes in the binding sites of proteins
Xavier Fradera, Xavier De La Cruz, Carlos H T P Silva, et al.
Page
of 5
Search research articles
Search
Showing results (31-40 of 46) with videos related to
Sort By:
Page
of 5
Journal of Computational Chemistry
|
January 11, 2025
Extending the MST Model to Large Biomolecular Systems: Parametrization of the ddCOSMO-MST Continuum Solvation Model
R D Cunha, S Romero-Téllez, F Lipparini, et al.
Journal of Computational Chemistry
|
January 28, 2016
Development and validation of hydrophobic molecular fields derived from the quantum mechanical IEF/PCM-MST solvation models in 3D-QSAR
Tiziana Ginex, Jordi Muñoz-Muriedas, Enric Herrero, et al.
Advances in Protein Chemistry and Structural Biology
|
August 29, 2016
Structural Plasticity in Globins: Role of Protein Dynamics in Defining Ligand Migration Pathways
C Estarellas, L Capece, C Seira, et al.
Proteins
|
December 18, 2008
High pressure reveals structural determinants for globin hexacoordination: neuroglobin and myoglobin cases
L Capece, M A Marti, A Bidon-Chanal, et al.
Journal of Environmental Management
|
March 5, 2013
Water resources management in southern Europe: clues for a research and innovation based regional hypercluster
G Martins, A G Brito, R Nogueira, et al.
Journal of Medicinal Chemistry
|
May 27, 1994
DNA sequence-specific reading by echinomycin: role of hydrogen bonding and stacking interactions
J Gallego, F J Luque, M Orozco, et al.
Proteins
|
December 18, 2001
Classical molecular interaction potentials: improved setup procedure in molecular dynamics simulations of proteins
J L Gelpí, S G Kalko, X Barril, et al.
Journal of Materials Chemistry. B
|
April 9, 2020
Tuning the local solvent composition at a drug carrier surface: the effect of dimethyl sulfoxide/water mixture on the photofunctional properties of hypericin-β-lactoglobulin complexes
P Delcanale, B Rodríguez-Amigo, J Juárez-Jiménez, et al.
Journal of Medicinal Chemistry
|
December 14, 2001
Synthesis, in vitro pharmacology, and molecular modeling of syn-huprines as acetylcholinesterase inhibitors
P Camps, E Gómez, D Muñoz-Torrero, et al.
Bioinformatics (Oxford, England)
|
July 16, 2002
Ligand-induced changes in the binding sites of proteins
Xavier Fradera, Xavier De La Cruz, Carlos H T P Silva, et al.
Page
of 5