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Journal of Chemical Information and Modeling
|
March 28, 2023
Ringtail: A Python Tool for Efficient Management and Storage of Virtual Screening Results
Althea T Hansel-Harris, Diogo Santos-Martins, Niccolò Bruciaferri, et al.
Faraday Discussions
|
September 26, 2014
3D molecular models of whole HIV-1 virions generated with cellPACK
Graham T Johnson, David S Goodsell, Ludovic Autin, et al.
Journal of Chemical Theory and Computation
|
January 6, 2021
Accelerating AutoDock4 with GPUs and Gradient-Based Local Search
Diogo Santos-Martins, Leonardo Solis-Vasquez, Andreas F Tillack, et al.
Nature Protocols
|
April 15, 2016
Computational protein-ligand docking and virtual drug screening with the AutoDock suite
Stefano Forli, Ruth Huey, Michael E Pique, et al.
Nature Communications
|
October 23, 2025
Structure-guided discovery of Otopetrin 1 inhibitors reveals druggable binding sites at the intrasubunit interface
Batuujin Burendei, Joshua P Kaplan, Gerardo M Orellana, et al.
The Journal of Organic Chemistry
|
May 4, 2011
N-linked peptidoresorc[4]arene-based receptors as noncompetitive inhibitors for α-chymotrypsin
Ilaria D'Acquarica, Antonella Cerreto, Giuliano Delle Monache, et al.
Nature Chemistry
|
November 24, 2017
Global profiling of lysine reactivity and ligandability in the human proteome
Stephan M Hacker, Keriann M Backus, Michael R Lazear, et al.
Journal of Medicinal Chemistry
|
May 26, 2006
A combination of docking/dynamics simulations and pharmacophoric modeling to discover new dual c-Src/Abl kinase inhibitors
Fabrizio Manetti, Giada A Locatelli, Giovanni Maga, et al.
Journal of Computer-Aided Molecular Design
|
November 7, 2019
D3R Grand Challenge 4: prospective pose prediction of BACE1 ligands with AutoDock-GPU
Diogo Santos-Martins, Jerome Eberhardt, Giulia Bianco, et al.
Analytical Chemistry
|
August 7, 2025
Sulfoxide-diazirine (SODA) as a Cleavable Photoaffinity Group To Enable the Identification of Photolabeled Modification Sites via LC-MS<sup>3</sup>
Suyuan Chen, Michel F Sanner, Denise-Liu Gracias Leone, et al.
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of 12
Search research articles
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Showing results (41-50 of 113) with videos related to
Sort By:
Page
of 12
Journal of Chemical Information and Modeling
|
March 28, 2023
Ringtail: A Python Tool for Efficient Management and Storage of Virtual Screening Results
Althea T Hansel-Harris, Diogo Santos-Martins, Niccolò Bruciaferri, et al.
Faraday Discussions
|
September 26, 2014
3D molecular models of whole HIV-1 virions generated with cellPACK
Graham T Johnson, David S Goodsell, Ludovic Autin, et al.
Journal of Chemical Theory and Computation
|
January 6, 2021
Accelerating AutoDock4 with GPUs and Gradient-Based Local Search
Diogo Santos-Martins, Leonardo Solis-Vasquez, Andreas F Tillack, et al.
Nature Protocols
|
April 15, 2016
Computational protein-ligand docking and virtual drug screening with the AutoDock suite
Stefano Forli, Ruth Huey, Michael E Pique, et al.
Nature Communications
|
October 23, 2025
Structure-guided discovery of Otopetrin 1 inhibitors reveals druggable binding sites at the intrasubunit interface
Batuujin Burendei, Joshua P Kaplan, Gerardo M Orellana, et al.
The Journal of Organic Chemistry
|
May 4, 2011
N-linked peptidoresorc[4]arene-based receptors as noncompetitive inhibitors for α-chymotrypsin
Ilaria D'Acquarica, Antonella Cerreto, Giuliano Delle Monache, et al.
Nature Chemistry
|
November 24, 2017
Global profiling of lysine reactivity and ligandability in the human proteome
Stephan M Hacker, Keriann M Backus, Michael R Lazear, et al.
Journal of Medicinal Chemistry
|
May 26, 2006
A combination of docking/dynamics simulations and pharmacophoric modeling to discover new dual c-Src/Abl kinase inhibitors
Fabrizio Manetti, Giada A Locatelli, Giovanni Maga, et al.
Journal of Computer-Aided Molecular Design
|
November 7, 2019
D3R Grand Challenge 4: prospective pose prediction of BACE1 ligands with AutoDock-GPU
Diogo Santos-Martins, Jerome Eberhardt, Giulia Bianco, et al.
Analytical Chemistry
|
August 7, 2025
Sulfoxide-diazirine (SODA) as a Cleavable Photoaffinity Group To Enable the Identification of Photolabeled Modification Sites via LC-MS<sup>3</sup>
Suyuan Chen, Michel F Sanner, Denise-Liu Gracias Leone, et al.
Page
of 12