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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.
Journal of Chemical Theory and Computation
|
November 16, 2022
Reliable and Accurate Prediction of Single-Residue p<i>K</i><sub>a</sub> Values through Free Energy Perturbation Calculations
Dilek Coskun, Wei Chen, Anthony J Clark, et al.
Journal of Medicinal Chemistry
|
April 9, 2026
Results of a Large-Scale Study of the Binding of 50 Type II Inhibitors to 348 Kinases: The Role of Protein Reorganization
Vardan H Vardanyan, Allan Haldane, Howook Hwang, et al.
Biorxiv : the Preprint Server for Biology
|
February 12, 2026
Results of a large scale study of the binding of 50 type II inhibitors to 348 kinases: The role of protein reorganization
Vardan H Vardanyan, Allan Haldane, Howook Hwang, et al.
Cell
|
February 2, 2024
Enabling structure-based drug discovery utilizing predicted models
Edward B Miller, Howook Hwang, Mee Shelley, et al.
Journal of Chemical Information and Modeling
|
March 10, 2023
Benchmarking Refined and Unrefined AlphaFold2 Structures for Hit Discovery
Yuqi Zhang, Marton Vass, Da Shi, et al.
Journal of Chemical Theory and Computation
|
March 29, 2021
Reliable and Accurate Solution to the Induced Fit Docking Problem for Protein-Ligand Binding
Edward B Miller, Robert B Murphy, Daniel Sindhikara, et al.
Journal of Medicinal Chemistry
|
July 10, 2024
Correction to "Structure-Activity Relationship of a Pyrrole Based Series of PfPKG Inhibitors as Anti-Malarials"
John A Gilleran, Kutub Ashraf, Melvin Delvillar, et al.
Journal of Medicinal Chemistry
|
February 19, 2024
Structure-Activity Relationship of a Pyrrole Based Series of PfPKG Inhibitors as Anti-Malarials
John A Gilleran, Kutub Ashraf, Melvin Delvillar, et al.
Journal of Virology
|
June 14, 2013
Capsid antibodies to different adeno-associated virus serotypes bind common regions
Brittney L Gurda, Michael A DiMattia, Edward B Miller, et al.
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Search research articles
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Showing results (21-30 of 30) with videos related to
Sort By:
Page
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You have reached the last page of results.
This site can display upto 30 results.
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.
Journal of Chemical Theory and Computation
|
November 16, 2022
Reliable and Accurate Prediction of Single-Residue p<i>K</i><sub>a</sub> Values through Free Energy Perturbation Calculations
Dilek Coskun, Wei Chen, Anthony J Clark, et al.
Journal of Medicinal Chemistry
|
April 9, 2026
Results of a Large-Scale Study of the Binding of 50 Type II Inhibitors to 348 Kinases: The Role of Protein Reorganization
Vardan H Vardanyan, Allan Haldane, Howook Hwang, et al.
Biorxiv : the Preprint Server for Biology
|
February 12, 2026
Results of a large scale study of the binding of 50 type II inhibitors to 348 kinases: The role of protein reorganization
Vardan H Vardanyan, Allan Haldane, Howook Hwang, et al.
Cell
|
February 2, 2024
Enabling structure-based drug discovery utilizing predicted models
Edward B Miller, Howook Hwang, Mee Shelley, et al.
Journal of Chemical Information and Modeling
|
March 10, 2023
Benchmarking Refined and Unrefined AlphaFold2 Structures for Hit Discovery
Yuqi Zhang, Marton Vass, Da Shi, et al.
Journal of Chemical Theory and Computation
|
March 29, 2021
Reliable and Accurate Solution to the Induced Fit Docking Problem for Protein-Ligand Binding
Edward B Miller, Robert B Murphy, Daniel Sindhikara, et al.
Journal of Medicinal Chemistry
|
July 10, 2024
Correction to "Structure-Activity Relationship of a Pyrrole Based Series of PfPKG Inhibitors as Anti-Malarials"
John A Gilleran, Kutub Ashraf, Melvin Delvillar, et al.
Journal of Medicinal Chemistry
|
February 19, 2024
Structure-Activity Relationship of a Pyrrole Based Series of PfPKG Inhibitors as Anti-Malarials
John A Gilleran, Kutub Ashraf, Melvin Delvillar, et al.
Journal of Virology
|
June 14, 2013
Capsid antibodies to different adeno-associated virus serotypes bind common regions
Brittney L Gurda, Michael A DiMattia, Edward B Miller, et al.
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of 3