| De novo protein design by deep network hallucination I Anishchenko, SJ Pellock, TM Chidyausiku, TA Ramelot, S Ovchinnikov, ... Nature 600 (7889), 547-552, 2021 | 404 | 2021 |
| Structural similarity of SARS-CoV2 Mpro and HCV NS3/4A proteases suggests new approaches for identifying existing drugs useful as COVID-19 therapeutics K Bafna, RM Krug, GT Montelione ChemRxiv, 2020 | 71 | 2020 |
| Hepatitis C virus drugs that inhibit SARS-CoV-2 papain-like protease synergize with remdesivir to suppress viral replication in cell culture K Bafna, K White, B Harish, R Rosales, TA Ramelot, TB Acton, E Moreno, ... Cell reports 35 (7), 2021 | 59 | 2021 |
| Conservation of dynamics associated with biological function in an enzyme superfamily C Narayanan, DN Bernard, K Bafna, D Gagné, CS Chennubhotla, ... Structure 26 (3), 426-436. e3, 2018 | 42 | 2018 |
| Applications of NMR and computational methodologies to study protein dynamics C Narayanan, K Bafna, LD Roux, PK Agarwal, N Doucet Archives of biochemistry and biophysics 628, 71-80, 2017 | 36 | 2017 |
| Computational structure-based de novo design of hypothetical inhibitors against the anti-inflammatory target COX-2 JK Dhanjal, AK Sreenidhi, K Bafna, SP Katiyar, S Goyal, A Grover, ... PloS one 10 (8), e0134691, 2015 | 34 | 2015 |
| The bitter barricading of prostaglandin biosynthesis pathway: understanding the molecular mechanism of selective cyclooxygenase-2 inhibition by amarogentin, a secoiridoid … S Shukla, K Bafna, D Sundar, SS Thorat PLoS One 9 (3), e90637, 2014 | 33 | 2014 |
| Enzyme dynamics: Looking beyond a single structure PK Agarwal, DN Bernard, K Bafna, N Doucet ChemCatChem 12 (19), 4704-4720, 2020 | 32 | 2020 |
| Differential substrate recognition by maltose binding proteins influenced by structure and dynamics S Shukla, K Bafna, C Gullett, DAA Myles, PK Agarwal, MJ Cuneo Biochemistry 57 (40), 5864-5876, 2018 | 25 | 2018 |
| Ligand-induced variations in structural and dynamical properties within an enzyme superfamily C Narayanan, DN Bernard, K Bafna, D Gagné, PK Agarwal, N Doucet Frontiers in Molecular Biosciences 5, 54, 2018 | 20 | 2018 |
| Structural similarities between SARS-CoV2 3CLpro and other viral proteases suggest potential lead molecules for developing broad spectrum antivirals K Bafna, CL Cioffi, RM Krug, GT Montelione Frontiers in Chemistry 10, 948553, 2022 | 8 | 2022 |
| Hepatitis C Virus drugs simeprevir and grazoprevir synergize with remdesivir to suppress SARS-CoV-2 replication in Cell Culture K Bafna, K White, B Harish, R Rosales, TA Ramelot, TB Acton, E Moreno, ... BioRxiv, 2020.12. 13.422511, 2020 | 8 | 2020 |
| Sequence-specific backbone resonance assignments and microsecond timescale molecular dynamics simulation of human eosinophil-derived neurotoxin D Gagné, C Narayanan, K Bafna, LA Charest, PK Agarwal, N Doucet Biomolecular NMR assignments 11, 143-149, 2017 | 8* | 2017 |
| Hepatitis C virus drugs that inhibit SARS-CoV-2 papain-like protease synergize with remdesivir to suppress viral replication in cell culture. Cell Rep 35: 109133 K Bafna, K White, B Harish, R Rosales, TA Ramelot, TB Acton, E Moreno, ... | 7 | 2021 |
| Aspects of weak interactions between folate and glycine betaine PP Bhojane, MR Duff Jr, K Bafna, GP Rimmer, PK Agarwal, EE Howell Biochemistry 55 (45), 6282-6294, 2016 | 7 | 2016 |
| Insights into structural and dynamical changes experienced by human RNase 6 upon ligand binding C Narayanan, DN Bernard, M Létourneau, J Gagnon, D Gagné, K Bafna, ... Biochemistry 59 (6), 755-765, 2020 | 6 | 2020 |
| Nucleotide substrate binding characterization in human pancreatic-type ribonucleases K Bafna, C Narayanan, SC Chennubhotla, N Doucet, PK Agarwal PLoS One 14 (8), e0220037, 2019 | 6 | 2019 |
| Small angle neutron scattering studies of R67 dihydrofolate reductase, a tetrameric protein with intrinsically disordered N-termini PP Bhojane, MR Duff Jr, K Bafna, P Agarwal, C Stanley, EE Howell Biochemistry 56 (44), 5886-5899, 2017 | 6 | 2017 |
| Conformational exchange divergence along the evolutionary pathway of eosinophil-associated ribonucleases DN Bernard, C Narayanan, T Hempel, K Bafna, PP Bhojane, ... Structure 31 (3), 329-342. e4, 2023 | 3 | 2023 |
| Protocol for production and purification of SARS-CoV-2 3CLpro L Mazzei, R Greene-Cramer, K Bafna, A Jovanovic, A De Falco, TB Acton, ... STAR protocols 4 (2), 102326, 2023 | 2 | 2023 |
Gaetano T Montelione, Constellation...Rensselaer Polytechnic InstituteVerified email at rpi.edu
