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Scientific Data
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December 2, 2020
HuskinDB, a database for skin permeation of xenobiotics
Dmitri Stepanov, Steven Canipa, Gerhard Wolber
Journal of Computer-Aided Molecular Design
|
August 31, 2013
Molecular dynamics simulation and linear interaction energy study of D-Glu-based inhibitors of the MurD ligase
Andrej Perdih, Gerhard Wolber, Tom Solmajer
Journal of Computer-Aided Molecular Design
|
October 20, 2006
Efficient overlay of small organic molecules using 3D pharmacophores
Gerhard Wolber, Alois A Dornhofer, Thierry Langer
Journal of Chemical Information and Modeling
|
July 9, 2025
Agonists and Antagonists Show Different Unbinding Paths from the TLR8 Receptor
Valerij Talagayev, Gerhard Wolber, Ariane Nunes-Alves
Computational and Structural Biotechnology Journal
|
November 24, 2025
Targeting CAPON to modulate the CAPON-NOS Axis: a computational approach
Hossam Nada, Gerhard Wolber, Moustafa T Gabr
Journal of Chemical Information and Modeling
|
July 25, 2006
Comparative performance assessment of the conformational model generators omega and catalyst: a large-scale survey on the retrieval of protein-bound ligand conformations
Johannes Kirchmair, Gerhard Wolber, Christian Laggner, et al.
Amino Acids
|
September 7, 2014
Impact of fluorination on proteolytic stability of peptides: a case study with α-chymotrypsin and pepsin
Vivian Asante, Jérémie Mortier, Gerhard Wolber, et al.
Current Topics in Medicinal Chemistry
|
November 3, 2012
Computational tools for in silico fragment-based drug design
Jeremie Mortier, Christin Rakers, Raphael Frederick, et al.
Methods in Molecular Biology (Clifton, N.J.)
|
March 24, 2021
Exploiting Water Dynamics for Pharmacophore Screening
David Schaller, Szymon Pach, Marcel Bermudez, et al.
Drug Discovery Today
|
January 15, 2008
Molecule-pharmacophore superpositioning and pattern matching in computational drug design
Gerhard Wolber, Thomas Seidel, Fabian Bendix, et al.
Page
of 22
Search research articles
Search
Showing results (11-20 of 219) with videos related to
Sort By:
Page
of 22
Scientific Data
|
December 2, 2020
HuskinDB, a database for skin permeation of xenobiotics
Dmitri Stepanov, Steven Canipa, Gerhard Wolber
Journal of Computer-Aided Molecular Design
|
August 31, 2013
Molecular dynamics simulation and linear interaction energy study of D-Glu-based inhibitors of the MurD ligase
Andrej Perdih, Gerhard Wolber, Tom Solmajer
Journal of Computer-Aided Molecular Design
|
October 20, 2006
Efficient overlay of small organic molecules using 3D pharmacophores
Gerhard Wolber, Alois A Dornhofer, Thierry Langer
Journal of Chemical Information and Modeling
|
July 9, 2025
Agonists and Antagonists Show Different Unbinding Paths from the TLR8 Receptor
Valerij Talagayev, Gerhard Wolber, Ariane Nunes-Alves
Computational and Structural Biotechnology Journal
|
November 24, 2025
Targeting CAPON to modulate the CAPON-NOS Axis: a computational approach
Hossam Nada, Gerhard Wolber, Moustafa T Gabr
Journal of Chemical Information and Modeling
|
July 25, 2006
Comparative performance assessment of the conformational model generators omega and catalyst: a large-scale survey on the retrieval of protein-bound ligand conformations
Johannes Kirchmair, Gerhard Wolber, Christian Laggner, et al.
Amino Acids
|
September 7, 2014
Impact of fluorination on proteolytic stability of peptides: a case study with α-chymotrypsin and pepsin
Vivian Asante, Jérémie Mortier, Gerhard Wolber, et al.
Current Topics in Medicinal Chemistry
|
November 3, 2012
Computational tools for in silico fragment-based drug design
Jeremie Mortier, Christin Rakers, Raphael Frederick, et al.
Methods in Molecular Biology (Clifton, N.J.)
|
March 24, 2021
Exploiting Water Dynamics for Pharmacophore Screening
David Schaller, Szymon Pach, Marcel Bermudez, et al.
Drug Discovery Today
|
January 15, 2008
Molecule-pharmacophore superpositioning and pattern matching in computational drug design
Gerhard Wolber, Thomas Seidel, Fabian Bendix, et al.
Page
of 22