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Bioorganic & Medicinal Chemistry Letters
|
August 12, 2009
Design and synthesis of dipeptidyl nitriles as potent, selective, and reversible inhibitors of cathepsin C
Daniel Guay, Christian Beaulieu, Jean-Francois Truchon, et al.
Journal of Chemical Information and Modeling
|
June 27, 2007
Comparison of topological, shape, and docking methods in virtual screening
Georgia B McGaughey, Robert P Sheridan, Christopher I Bayly, et al.
Journal of Chemical Information and Modeling
|
January 24, 2007
Solvated interaction energy (SIE) for scoring protein-ligand binding affinities. 1. Exploring the parameter space
Marwen Naïm, Sathesh Bhat, Kathryn N Rankin, et al.
The Journal of Physical Chemistry. B
|
August 1, 2024
Benchmarking Quantum Mechanical Levels of Theory for Valence Parametrization in Force Fields
Pavan Kumar Behara, Hyesu Jang, Joshua T Horton, et al.
Bioorganic & Medicinal Chemistry Letters
|
February 3, 2005
Novel pyrazinone mono-amides as potent and reversible caspase-3 inhibitors
Yongxin Han, André Giroux, John Colucci, et al.
Bioorganic & Medicinal Chemistry
|
February 26, 2004
Solid phase synthesis of selective caspase-3 peptide inhibitors
Erich L Grimm, Bruno Roy, Renee Aspiotis, et al.
Living Journal of Computational Molecular Science
|
November 16, 2022
Best practices for constructing, preparing, and evaluating protein-ligand binding affinity benchmarks [Article v0.1]
David F Hahn, Christopher I Bayly, Hannah E Bruce Macdonald, et al.
Bioorganic & Medicinal Chemistry Letters
|
April 6, 2007
Beta-substituted cyclohexanecarboxamide cathepsin K inhibitors: modification of the 1,2-disubstituted aromatic core
Joël Robichaud, Christopher I Bayly, W Cameron Black, et al.
Journal of Chemical Theory and Computation
|
October 24, 2018
Escaping Atom Types in Force Fields Using Direct Chemical Perception
David L Mobley, Caitlin C Bannan, Andrea Rizzi, et al.
Bioorganic & Medicinal Chemistry Letters
|
May 15, 2008
Discovery of [(3-bromo-7-cyano-2-naphthyl)(difluoro)methyl]phosphonic acid, a potent and orally active small molecule PTP1B inhibitor
Yongxin Han, Michel Belley, Christopher I Bayly, et al.
Page
of 4
Search research articles
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Showing results (21-30 of 40) with videos related to
Sort By:
Page
of 4
Bioorganic & Medicinal Chemistry Letters
|
August 12, 2009
Design and synthesis of dipeptidyl nitriles as potent, selective, and reversible inhibitors of cathepsin C
Daniel Guay, Christian Beaulieu, Jean-Francois Truchon, et al.
Journal of Chemical Information and Modeling
|
June 27, 2007
Comparison of topological, shape, and docking methods in virtual screening
Georgia B McGaughey, Robert P Sheridan, Christopher I Bayly, et al.
Journal of Chemical Information and Modeling
|
January 24, 2007
Solvated interaction energy (SIE) for scoring protein-ligand binding affinities. 1. Exploring the parameter space
Marwen Naïm, Sathesh Bhat, Kathryn N Rankin, et al.
The Journal of Physical Chemistry. B
|
August 1, 2024
Benchmarking Quantum Mechanical Levels of Theory for Valence Parametrization in Force Fields
Pavan Kumar Behara, Hyesu Jang, Joshua T Horton, et al.
Bioorganic & Medicinal Chemistry Letters
|
February 3, 2005
Novel pyrazinone mono-amides as potent and reversible caspase-3 inhibitors
Yongxin Han, André Giroux, John Colucci, et al.
Bioorganic & Medicinal Chemistry
|
February 26, 2004
Solid phase synthesis of selective caspase-3 peptide inhibitors
Erich L Grimm, Bruno Roy, Renee Aspiotis, et al.
Living Journal of Computational Molecular Science
|
November 16, 2022
Best practices for constructing, preparing, and evaluating protein-ligand binding affinity benchmarks [Article v0.1]
David F Hahn, Christopher I Bayly, Hannah E Bruce Macdonald, et al.
Bioorganic & Medicinal Chemistry Letters
|
April 6, 2007
Beta-substituted cyclohexanecarboxamide cathepsin K inhibitors: modification of the 1,2-disubstituted aromatic core
Joël Robichaud, Christopher I Bayly, W Cameron Black, et al.
Journal of Chemical Theory and Computation
|
October 24, 2018
Escaping Atom Types in Force Fields Using Direct Chemical Perception
David L Mobley, Caitlin C Bannan, Andrea Rizzi, et al.
Bioorganic & Medicinal Chemistry Letters
|
May 15, 2008
Discovery of [(3-bromo-7-cyano-2-naphthyl)(difluoro)methyl]phosphonic acid, a potent and orally active small molecule PTP1B inhibitor
Yongxin Han, Michel Belley, Christopher I Bayly, et al.
Page
of 4