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Manasi Pethe
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Macromolecular modeling and design in Rosetta: recent methods and frameworks
JK Leman, BD Weitzner, SM Lewis, J Adolf-Bryfogle, N Alam, RF Alford, ...
Nature methods 17 (7), 665-680, 2020
5802020
Data-driven supervised learning of a viral protease specificity landscape from deep sequencing and molecular simulations
MA Pethe, AB Rubenstein, SD Khare
Proceedings of the National Academy of Sciences 116 (1), 168-176, 2019
292019
BEDAM binding free energy predictions for the SAMPL4 octa-acid host challenge
E Gallicchio, H Chen, H Chen, M Fitzgerald, Y Gao, P He, M Kalyanikar, ...
Journal of computer-aided molecular design 29, 315-325, 2015
242015
Large-scale structure-based prediction and identification of novel protease substrates using computational protein design
MA Pethe, AB Rubenstein, SD Khare
Journal of molecular biology 429 (2), 220-236, 2017
222017
MFPred: Rapid and accurate prediction of protein-peptide recognition multispecificity using self-consistent mean field theory
AB Rubenstein, MA Pethe, SD Khare
PLoS computational biology 13 (6), e1005614, 2017
152017
Large-scale prediction, characterization and modulation of protease enzyme specificity landscape using computation and experiment
S Khare, S Khare, M Pethe, A Rubenstein
PROTEIN SCIENCE 26, 55-56, 2017
2017
Illuminating the Specificity Landscape of the HCV NS3 Protease using Computation and Next Generation Sequencing
M Pethe, A Rubenstein, S Khare, D Zoraine
PROTEIN SCIENCE 26, 171-171, 2017
2017
Biophysical determinants of mutational robustness in a viral molecular fitness landscape
MA Pethe, AB Rubenstein, D Zorine, SD Khare
bioRxiv, 172197, 2017
2017
The Biophysical Basis of a Protease–Substrate Interaction Landscape
M Pethe
Rutgers The State University of New Jersey, School of Graduate Studies, 2017
2017
Structure-Based Prediction of Protease Multispecificity using Computational Protein Design
SD Khare, A Rubenstein, M Pethe
Biophysical Journal 110 (3), 345a, 2016
2016
Structure-based predictive model for the substrate specificity of the tobacco etch virus protease
M Saladin, M Pethe, S Khare
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 247, 2014
2014
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Articles 1–11