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Scientific Reports
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April 28, 2018
High throughput evaluation of macrocyclization strategies for conformer stabilization
Dan Sindhikara, Ken Borrelli
Journal of Chemical Theory and Computation
|
May 23, 2023
Quantitatively Accounting for Protein Reorganization in Computer-Aided Drug Design
Mikolai Fajer, Ken Borrelli, Robert Abel, et al.
Toxins
|
October 15, 2020
Water Thermodynamics of Peptide Toxin Binding Sites on Ion Channels
Binita Shah, Dan Sindhikara, Ken Borrelli, et al.
Journal of Chemical Information and Modeling
|
July 21, 2017
Improving Accuracy, Diversity, and Speed with Prime Macrocycle Conformational Sampling
Dan Sindhikara, Steven A Spronk, Tyler Day, et al.
Journal of Chemical Theory and Computation
|
May 5, 2016
Prediction of Protein-Ligand Binding Poses via a Combination of Induced Fit Docking and Metadynamics Simulations
Anthony J Clark, Pratyush Tiwary, Ken Borrelli, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 5) with videos related to
Sort By:
Page
of 1
Scientific Reports
|
April 28, 2018
High throughput evaluation of macrocyclization strategies for conformer stabilization
Dan Sindhikara, Ken Borrelli
Journal of Chemical Theory and Computation
|
May 23, 2023
Quantitatively Accounting for Protein Reorganization in Computer-Aided Drug Design
Mikolai Fajer, Ken Borrelli, Robert Abel, et al.
Toxins
|
October 15, 2020
Water Thermodynamics of Peptide Toxin Binding Sites on Ion Channels
Binita Shah, Dan Sindhikara, Ken Borrelli, et al.
Journal of Chemical Information and Modeling
|
July 21, 2017
Improving Accuracy, Diversity, and Speed with Prime Macrocycle Conformational Sampling
Dan Sindhikara, Steven A Spronk, Tyler Day, et al.
Journal of Chemical Theory and Computation
|
May 5, 2016
Prediction of Protein-Ligand Binding Poses via a Combination of Induced Fit Docking and Metadynamics Simulations
Anthony J Clark, Pratyush Tiwary, Ken Borrelli, et al.
Page
of 1