Biomolecular Condensates: Sequence Determinants of Phase Separation, Microstructural Organization, Enzymatic Activity, and Material Properties

Benjamin S Schuster , Jeetain Mittal , Zheng Shi , Elliott M Dolan
Journal of Physical Chemistry B 125 ( 14) 3441 -3451

2021
Molecular origin of polyglutamine aggregation in neurodegenerative diseases.

Sagar D Khare , Feng Ding , Kenneth N Gwanmesia , Nikolay V Dokholyan
PLOS Computational Biology 1 ( 3) 230 -235

94
2005
Recent progress in designing protein-based supramolecular assemblies.

William A Hansen , Sagar D Khare
Current Opinion in Structural Biology 63 106 -114

2020
Computational redesign of a mononuclear zinc metalloenzyme for organophosphate hydrolysis.

Sagar D Khare , Yakov Kipnis , Per Jr Greisen , Ryo Takeuchi
Nature Chemical Biology 8 ( 3) 294 -300

244
2012
Highly stereoselective and enantiodivergent synthesis of cyclopropylphosphonates with engineered carbene transferases

Xinkun Ren , Ajay L Chandgude , Daniela M Carminati , Zhuofan Shen
Chemical Science 13 ( 29) 8550 -8556

4
2022
Tuning enzyme thermostability via computationally guided covalent stapling and structural basis of enhanced stabilization

Jacob A Iannuzzelli , John-Paul Bacik , Eric J Moore , Zhuofan Shen
Biochemistry 61 ( 11) 1041 -1054

3
2022
Increased insert length changes association mechanism of chimeric CI2-polyQ protein

Sunjay Barton , Feng Ding , Ron Jacak , Sagar D Khare
BIOPHYSICAL JOURNAL 561A -561A

2007
19
2022
Evolution of the SARS‐CoV‐2 proteome in three dimensions (3D) during the first 6 months of the COVID‐19 pandemic

Joseph H Lubin , Christine Zardecki , Elliott M Dolan , Changpeng Lu
Proteins: Structure, Function, and Bioinformatics 90 ( 5) 1054 -1080

45
2022
Structural models of SARS-CoV-2 Omicron variant in complex with ACE2 receptor or antibodies suggest altered binding interfaces

Joseph H Lubin , Christopher Markosian , D Balamurugan , Renata Pasqualini
BioRxiv

18
2021
Genetic and structural analysis of SARS-CoV-2 spike protein for universal epitope selection

Christopher Markosian , Daniela I Staquicini , Prashant Dogra , Esteban Dodero-Rojas
Molecular biology and evolution 39 ( 5) msac091 -msac091

9
2022
Modeling of ACE2 and antibodies bound to SARS-CoV-2 provides insights into infectivity and immune evasion

Joseph H Lubin , Christopher Markosian , D Balamurugan , Minh T Ma
JCI insight 8 ( 13)

2
2023
Outcome of Crash Course Training on Protein Structure Prediction with Artificial Intelligence

D Balamurugan , Maureen Dougherty , Joseph Lubin , Paul Arias
bioRxiv 2022.09. 01.506222 -2022.09. 01.506222

2022
Bioinformatics and 3D Structural Analysis of the Coronavirus Main Protease Active Site Diversity

Amy Wu Wu , Joseph H Lubin , Cassandra Olivas , Christine Zardecki
The FASEB Journal 36

2022
Ensuring scientific reproducibility in bio-macromolecular modeling via extensive, automated benchmarks

Julia Koehler Leman , Sergey Lyskov , Steven M Lewis , Jared Adolf-Bryfogle
Nature communications 12 ( 1) 6947 -6947

16
2021
High affinity digoxigenin binding proteins

David Baker , Christine E Tinberg , Sagar D Khare , DOU Jiayi

1
2017
Mathematical models of protease-based enzymatic biosensors

Deepak K Agrawal , Elliott M Dolan , Nancy E Hernandez , Kristin M Blacklock
Unknown Journal

9
2019