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Carlos Simmerling

Showing results (91-100 of 107) with videos related to

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Biophysical Journal|May 16, 2024
MHC-Fine: Fine-tuned AlphaFold for precise MHC-peptide complex predictionErnest Glukhov, Dmytro Kalitin, Darya Stepanenko, et al.
Journal of the American Chemical Society|July 16, 2021
Free Energy Landscapes from SARS-CoV-2 Spike Glycoprotein Simulations Suggest that RBD Opening Can Be Modulated via Interactions in an Allosteric PocketLucy Fallon, Kellon A A Belfon, Lauren Raguette, et al.
The Journal of Biological Chemistry|April 19, 2014
The role of select subtype polymorphisms on HIV-1 protease conformational sampling and dynamicsXi Huang, Manuel D Britto, Jamie L Kear-Scott, et al.
Chemmedchem|March 12, 2014
Time-dependent diaryl ether inhibitors of InhA: structure-activity relationship studies of enzyme inhibition, antibacterial activity, and in vivo efficacyPan Pan, Susan E Knudson, Gopal R Bommineni, et al.
The Journal of Biological Chemistry|May 8, 2020
Copper stabilizes antiparallel β-sheet fibrils of the amyloid β40 (Aβ40)-Iowa variantElliot J Crooks, Brandon A Irizarry, Martine Ziliox, et al.
The Journal of Organic Chemistry|November 4, 2008
Design, synthesis, and biological evaluation of novel C14-C3'BzN-linked macrocyclic taxoidsLiang Sun, Xudong Geng, Raphaël Geney, et al.
The Journal of Physical Chemistry. B|November 22, 2012
Inhibitor-induced conformational shifts and ligand-exchange dynamics for HIV-1 protease measured by pulsed EPR and NMR spectroscopyXi Huang, Ian Mitchelle S de Vera, Angelo M Veloro, et al.
Biochemistry|May 3, 2016
Selectivity of Pyridone- and Diphenyl Ether-Based Inhibitors for the Yersinia pestis FabV Enoyl-ACP ReductaseCarla Neckles, Annica Pschibul, Cheng-Tsung Lai, et al.
The Journal of Physical Chemistry Letters|April 12, 2014
Ultrafast Structural Dynamics of BlsA, a Photoreceptor from the Pathogenic Bacterium <i>Acinetobacter baumannii.</i>Richard Brust, Allison Haigney, Andras Lukacs, et al.
Proteins|October 20, 2025
Modeling Protein-Protein and Protein-Ligand Interactions by the ClusPro Team in CASP16Ryota Ashizawa, Sergei Kotelnikov, Omeir Khan, et al.
Pageof 11

Showing results (91-100 of 107) with videos related to

Sort By:
Pageof 11
Biophysical Journal|May 16, 2024
MHC-Fine: Fine-tuned AlphaFold for precise MHC-peptide complex predictionErnest Glukhov, Dmytro Kalitin, Darya Stepanenko, et al.
Journal of the American Chemical Society|July 16, 2021
Free Energy Landscapes from SARS-CoV-2 Spike Glycoprotein Simulations Suggest that RBD Opening Can Be Modulated via Interactions in an Allosteric PocketLucy Fallon, Kellon A A Belfon, Lauren Raguette, et al.
The Journal of Biological Chemistry|April 19, 2014
The role of select subtype polymorphisms on HIV-1 protease conformational sampling and dynamicsXi Huang, Manuel D Britto, Jamie L Kear-Scott, et al.
Chemmedchem|March 12, 2014
Time-dependent diaryl ether inhibitors of InhA: structure-activity relationship studies of enzyme inhibition, antibacterial activity, and in vivo efficacyPan Pan, Susan E Knudson, Gopal R Bommineni, et al.
The Journal of Biological Chemistry|May 8, 2020
Copper stabilizes antiparallel β-sheet fibrils of the amyloid β40 (Aβ40)-Iowa variantElliot J Crooks, Brandon A Irizarry, Martine Ziliox, et al.
The Journal of Organic Chemistry|November 4, 2008
Design, synthesis, and biological evaluation of novel C14-C3'BzN-linked macrocyclic taxoidsLiang Sun, Xudong Geng, Raphaël Geney, et al.
The Journal of Physical Chemistry. B|November 22, 2012
Inhibitor-induced conformational shifts and ligand-exchange dynamics for HIV-1 protease measured by pulsed EPR and NMR spectroscopyXi Huang, Ian Mitchelle S de Vera, Angelo M Veloro, et al.
Biochemistry|May 3, 2016
Selectivity of Pyridone- and Diphenyl Ether-Based Inhibitors for the Yersinia pestis FabV Enoyl-ACP ReductaseCarla Neckles, Annica Pschibul, Cheng-Tsung Lai, et al.
The Journal of Physical Chemistry Letters|April 12, 2014
Ultrafast Structural Dynamics of BlsA, a Photoreceptor from the Pathogenic Bacterium <i>Acinetobacter baumannii.</i>Richard Brust, Allison Haigney, Andras Lukacs, et al.
Proteins|October 20, 2025
Modeling Protein-Protein and Protein-Ligand Interactions by the ClusPro Team in CASP16Ryota Ashizawa, Sergei Kotelnikov, Omeir Khan, et al.
Pageof 11