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Journal of Computer-Aided Molecular Design
|
December 21, 2019
Octanol-water partition coefficient measurements for the SAMPL6 blind prediction challenge
Mehtap Işık, Dorothy Levorse, David L Mobley, et al.
Journal of Chemical Information and Modeling
|
December 19, 2024
Essential Considerations for Free Energy Calculations of RNA-Small Molecule Complexes: Lessons from the Theophylline-Binding RNA Aptamer
Ali Rasouli, Frank C Pickard, Sreyoshi Sur, et al.
Journal of Computer-Aided Molecular Design
|
February 14, 2020
Standard state free energies, not pK<sub>a</sub>s, are ideal for describing small molecule protonation and tautomeric states
M R Gunner, Taichi Murakami, Ariën S Rustenburg, et al.
Journal of Computer-Aided Molecular Design
|
February 29, 2020
Assessing the accuracy of octanol-water partition coefficient predictions in the SAMPL6 Part II log P Challenge
Mehtap Işık, Teresa Danielle Bergazin, Thomas Fox, et al.
Journal of Computer-Aided Molecular Design
|
January 4, 2021
Overview of the SAMPL6 pK<sub>a</sub> challenge: evaluating small molecule microscopic and macroscopic pK<sub>a</sub> predictions
Mehtap Işık, Ariën S Rustenburg, Andrea Rizzi, et al.
Journal of Computer-Aided Molecular Design
|
April 15, 2022
SAMPL7 protein-ligand challenge: A community-wide evaluation of computational methods against fragment screening and pose-prediction
Harold Grosjean, Mehtap Işık, Anthony Aimon, et al.
Journal of Computer-Aided Molecular Design
|
October 29, 2021
Automated high throughput pK<sub>a</sub> and distribution coefficient measurements of pharmaceutical compounds for the SAMPL8 blind prediction challenge
Matthew N Bahr, Aakankschit Nandkeolyar, John K Kenna, et al.
Journal of Computer-Aided Molecular Design
|
November 9, 2018
pK<sub>a</sub> measurements for the SAMPL6 prediction challenge for a set of kinase inhibitor-like fragments
Mehtap Işık, Dorothy Levorse, Ariën S Rustenburg, et al.
Biochemistry
|
July 14, 2018
An Open Library of Human Kinase Domain Constructs for Automated Bacterial Expression
Steven K Albanese, Daniel L Parton, Mehtap Işık, et al.
Nature Materials
|
February 7, 2018
Quantitative self-assembly prediction yields targeted nanomedicines
Yosi Shamay, Janki Shah, Mehtap Işık, et al.
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Search research articles
Search
Showing results (1-10 of 10) with videos related to
Sort By:
Page
of 1
Journal of Computer-Aided Molecular Design
|
December 21, 2019
Octanol-water partition coefficient measurements for the SAMPL6 blind prediction challenge
Mehtap Işık, Dorothy Levorse, David L Mobley, et al.
Journal of Chemical Information and Modeling
|
December 19, 2024
Essential Considerations for Free Energy Calculations of RNA-Small Molecule Complexes: Lessons from the Theophylline-Binding RNA Aptamer
Ali Rasouli, Frank C Pickard, Sreyoshi Sur, et al.
Journal of Computer-Aided Molecular Design
|
February 14, 2020
Standard state free energies, not pK<sub>a</sub>s, are ideal for describing small molecule protonation and tautomeric states
M R Gunner, Taichi Murakami, Ariën S Rustenburg, et al.
Journal of Computer-Aided Molecular Design
|
February 29, 2020
Assessing the accuracy of octanol-water partition coefficient predictions in the SAMPL6 Part II log P Challenge
Mehtap Işık, Teresa Danielle Bergazin, Thomas Fox, et al.
Journal of Computer-Aided Molecular Design
|
January 4, 2021
Overview of the SAMPL6 pK<sub>a</sub> challenge: evaluating small molecule microscopic and macroscopic pK<sub>a</sub> predictions
Mehtap Işık, Ariën S Rustenburg, Andrea Rizzi, et al.
Journal of Computer-Aided Molecular Design
|
April 15, 2022
SAMPL7 protein-ligand challenge: A community-wide evaluation of computational methods against fragment screening and pose-prediction
Harold Grosjean, Mehtap Işık, Anthony Aimon, et al.
Journal of Computer-Aided Molecular Design
|
October 29, 2021
Automated high throughput pK<sub>a</sub> and distribution coefficient measurements of pharmaceutical compounds for the SAMPL8 blind prediction challenge
Matthew N Bahr, Aakankschit Nandkeolyar, John K Kenna, et al.
Journal of Computer-Aided Molecular Design
|
November 9, 2018
pK<sub>a</sub> measurements for the SAMPL6 prediction challenge for a set of kinase inhibitor-like fragments
Mehtap Işık, Dorothy Levorse, Ariën S Rustenburg, et al.
Biochemistry
|
July 14, 2018
An Open Library of Human Kinase Domain Constructs for Automated Bacterial Expression
Steven K Albanese, Daniel L Parton, Mehtap Işık, et al.
Nature Materials
|
February 7, 2018
Quantitative self-assembly prediction yields targeted nanomedicines
Yosi Shamay, Janki Shah, Mehtap Işık, et al.
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of 1