Sagar D Khare

Publication Activity (10 Years)

Years Active: 2017-2023
Publications (10 Years): 21

Top Topics

Electron Transfer

Top Venues

Proceedings of the National Academy of Sciences of the United States of America

bioRxiv : the preprint server for biology

Journal of the American Chemical Society

This page only lists publications with an associated author ORCID identifier.

Publications

Changpeng Lu, Joseph H Lubin, Vidur V Sarma, Samuel Z Stentz, Guanyang Wang, Sijian Wang, Sagar D Khare
Prediction and design of protease enzyme specificity using a structure-aware graph convolutional network. Proceedings of the National Academy of Sciences of the United States of America 120 (39) (2023)
Joseph H Lubin, Samantha G Martinusen, Christine Zardecki, Cassandra Olivas, Mickayla Bacorn, MaryAgnes Balogun, Ethan W Slaton, Amy Wu Wu, Sarah Sakeer, Brian P Hudson, Carl A Denard, Stephen K Burley, Sagar D Khare
A comprehensive survey of coronaviral main protease active site diversity in 3D: Identifying and analyzing drug discovery targets in search of broad specificity inhibitors for the next coronavirus pandemic. bioRxiv : the preprint server for biology (2023)
Changpeng Lu, Joseph H Lubin, Vidur V Sarma, Samuel Z Stentz, Guanyang Wang, Sijian Wang, Sagar D Khare
Prediction and Design of Protease Enzyme Specificity Using a Structure-Aware Graph Convolutional Network. bioRxiv : the preprint server for biology (2023)
Changpeng Lu, Joseph H Lubin, Vidur V Sarma, Samuel Z Stentz, Guanyang Wang, Sijian Wang, Sagar D Khare
Prediction and Design of Protease Enzyme Specificity Using a Structure-Aware Graph Convolutional Network. bioRxiv : the preprint server for biology (2023)
Joseph H Lubin, Samantha G Martinusen, Christine Zardecki, Cassandra Olivas, Mickayla Bacorn, MaryAgnes Balogun, Ethan W Slaton, Amy Wu Wu, Sarah Sakeer, Brian P Hudson, Carl A Denard, Stephen K Burley, Sagar D Khare
A comprehensive survey of coronaviral main protease active site diversity in 3D: Identifying and analyzing drug discovery targets in search of broad specificity inhibitors for the next coronavirus pandemic. bioRxiv : the preprint server for biology (2023)
Donggeon Nam, Antonio Tinoco, Zhuofan Shen, Ronald D Adukure, Gopeekrishnan Sreenilayam, Sagar D Khare, Rudi Fasan
Enantioselective Synthesis of α-Trifluoromethyl Amines via Biocatalytic N-H Bond Insertion with Acceptor-Acceptor Carbene Donors. Journal of the American Chemical Society 144 (6) (2022)
Xinkun Ren, Ajay L Chandgude, Daniela Maria Carminati, Zhuofan Shen, Sagar D Khare, Rudi Fasan
Highly stereoselective and enantiodivergent synthesis of cyclopropylphosphonates with engineered carbene transferases. Chemical science 13 (29) (2022)
Stephen K Burley, Helen M Berman, Wah Chiu, Wei Dai, Justin W Flatt, Brian P Hudson, Jason T Kaelber, Sagar D Khare, Arkadiusz W Kulczyk, Catherine L Lawson, Grigore D Pintilie, Andrej Sali, Brinda Vallat, John D Westbrook, Jasmine Y Young, Christine Zardecki
Electron microscopy holdings of the Protein Data Bank: the impact of the resolution revolution, new validation tools, and implications for the future. Biophysical reviews (2022)
Brahm J Yachnin, Laura R Azouz, Ralph E White, Conceição A S A Minetti, David P Remeta, Victor M Tan, Justin M Drake, Sagar D Khare
Massively parallel, computationally guided design of a proenzyme. Proceedings of the National Academy of Sciences of the United States of America 119 (15) (2022)
Jacob A Iannuzzelli, John-Paul Bacik, Eric J Moore, Zhuofan Shen, Ellen M Irving, David A Vargas, Sagar D Khare, Nozomi Andob, Rudi Fasan
Tuning Enzyme Thermostability via Computationally Guided Covalent Stapling and Structural Basis of Enhanced Stabilization. Biochemistry (2022)
Brahm J Yachnin, Vikram Khipple Mulligan, Sagar D Khare, Chris Bailey-Kellogg
MHCEpitopeEnergy, a Flexible Rosetta-Based Biotherapeutic Deimmunization Platform. Journal of chemical information and modeling 61 (5) (2021)
Joseph H Lubin, Christine Zardecki, Elliott M Dolan, Changpeng Lu, Zhuofan Shen, Shuchismita Dutta, John D Westbrook, Brian P Hudson, David S Goodsell, Jonathan K Williams, Maria Voigt, Vidur Sarma, Lingjun Xie, Thejasvi Venkatachalam, Steven Arnold, Luz Helena Alfaro Alvarado, Kevin Catalfano, Aaliyah Khan, Erika McCarthy, Sophia Staggers, Brea Tinsley, Alan Trudeau, Jitendra Singh, Lindsey Whitmore, Helen Zheng, Matthew Benedek, Jenna Currier, Mark Dresel, Ashish Duvvuru, Britney Dyszel, Emily Fingar, Elizabeth M Hennen, Michael Kirsch, Ali A Khan, Charlotte Labrie-Cleary, Stephanie Laporte, Evan Lenkeit, Kailey Martin, Marilyn Orellana, Melanie Ortiz-Alvarez de la Campa, Isaac Paredes, Baleigh Wheeler, Allison Rupert, Andrew Sam, Katherine See, Santiago Soto Zapata, Paul A Craig, Bonnie L Hall, Jennifer Jiang, Julia R Koeppe, Stephen A Mills, Michael J Pikaart, Rebecca Roberts, Yana Bromberg, J Steen Hoyer, Siobain Duffy, Jay Tischfield, Francesc X Ruiz, Eddy Arnold, Jean Baum, Jesse Sandberg, Grace Brannigan, Sagar D Khare, Stephen K Burley
Evolution of the SARS-CoV-2 proteome in three dimensions (3D) during the first 6 months of the COVID-19 pandemic. Proteins (2021)
Virginia Jiang, Sagar D Khare, Scott Banta
Computational structure prediction provides a plausible mechanism for electron transfer by the outer membrane protein Cyc2 from Acidithiobacillus ferrooxidans. Protein science : a publication of the Protein Society 30 (8) (2021)
Manasi A Pethe, Aliza B Rubenstein, Sagar D Khare
Data-driven supervised learning of a viral protease specificity landscape from deep sequencing and molecular simulations. Proceedings of the National Academy of Sciences of the United States of America 116 (1) (2018)
Aliza B Rubenstein, Kristin Blacklock, Hai Nguyen, David A Case, Sagar D Khare
Systematic Comparison of Amber and Rosetta Energy Functions for Protein Structure Evaluation. Journal of chemical theory and computation 14 (11) (2018)
Kristin M Blacklock, Lu Yang, Vikram K Mulligan, Sagar D Khare
A computational method for the design of nested proteins by loop-directed domain insertion. Proteins 86 (3) (2018)
Lu Yang, Elliott M Dolan, Sophia K Tan, Tianyun Lin, Eduardo D Sontag, Sagar D Khare
Computation-Guided Design of a Stimulus-Responsive Multienzyme Supramolecular Assembly. Chembiochem : a European journal of chemical biology 18 (20) (2017)
Katherine M Davis, Kelsey R Schramma, William A Hansen, John P Bacik, Sagar D Khare, Mohammad R Seyedsayamdost, Nozomi Ando
Structures of the peptide-modifying radical SAM enzyme SuiB elucidate the basis of substrate recognition. Proceedings of the National Academy of Sciences of the United States of America 114 (39) (2017)
Eric J Moore, Dmitri Zorine, William A Hansen, Sagar D Khare, Rudi Fasan
Enzyme stabilization via computationally guided protein stapling. Proceedings of the National Academy of Sciences of the United States of America 114 (47) (2017)
Aliza B Rubenstein, Manasi A Pethe, Sagar D Khare
MFPred: Rapid and accurate prediction of protein-peptide recognition multispecificity using self-consistent mean field theory. PLoS computational biology 13 (6) (2017)
Kristin M Blacklock, Brahm J Yachnin, G Andrew Woolley, Sagar D Khare
Computational Design of a Photocontrolled Cytosine Deaminase. Journal of the American Chemical Society 140 (1) (2017)