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 | 610 | 2020 |
A structural biology community assessment of AlphaFold2 applications M Akdel, DEV Pires, EP Pardo, J Jänes, AO Zalevsky, B Mészáros, ... Nature Structural & Molecular Biology 29 (11), 1056-1067, 2022 | 391 | 2022 |
3did: a catalog of domain-based interactions of known three-dimensional structure R Mosca, A Céol, A Stein, R Olivella, P Aloy Nucleic acids research 42 (D1), D374-D379, 2014 | 289 | 2014 |
Combined covalent-electrostatic model of hydrogen bonding improves structure prediction with Rosetta MJ O’Meara, A Leaver-Fay, MD Tyka, A Stein, K Houlihan, F DiMaio, ... Journal of chemical theory and computation 11 (2), 609-622, 2015 | 248 | 2015 |
3did: interacting protein domains of known three-dimensional structure A Stein, RB Russell, P Aloy Nucleic acids research 33 (suppl_1), D413-D417, 2005 | 237 | 2005 |
Improvements to robotics-inspired conformational sampling in rosetta A Stein, T Kortemme PloS one 8 (5), e63090, 2013 | 207 | 2013 |
Contextual specificity in peptide-mediated protein interactions A Stein, P Aloy PloS one 3 (7), e2524, 2008 | 176 | 2008 |
3did: identification and classification of domain-based interactions of known three-dimensional structure A Stein, A Ceol, P Aloy Nucleic acids research 39 (suppl_1), D718-D723, 2010 | 159 | 2010 |
Structure of the FoxM1 DNA-recognition domain bound to a promoter sequence DR Littler, M Alvarez-Fernandez, A Stein, RG Hibbert, T Heidebrecht, ... Nucleic acids research 38 (13), 4527-4538, 2010 | 156 | 2010 |
Biophysical and mechanistic models for disease-causing protein variants A Stein, DM Fowler, R Hartmann-Petersen, K Lindorff-Larsen Trends in biochemical sciences 44 (7), 575-588, 2019 | 140 | 2019 |
Dynamic interactions of proteins in complex networks: a more structured view A Stein, RA Pache, P Bernado, M Pons, P Aloy The FEBS journal 276 (19), 5390-5405, 2009 | 134 | 2009 |
Three-dimensional modeling of protein interactions and complexes is going ‘omics A Stein, R Mosca, P Aloy Current opinion in structural biology 21 (2), 200-208, 2011 | 112 | 2011 |
Predicting the impact of Lynch syndrome-causing missense mutations from structural calculations SV Nielsen, A Stein, AB Dinitzen, E Papaleo, MH Tatham, EG Poulsen, ... PLoS genetics 13 (4), e1006739, 2017 | 90 | 2017 |
3did Update: domain–domain and peptide-mediated interactions of known 3D structure A Stein, A Panjkovich, P Aloy Nucleic acids research 37 (suppl_1), D300-D304, 2009 | 90 | 2009 |
Control of protein signaling using a computationally designed GTPase/GEF orthogonal pair GT Kapp, S Liu, A Stein, DT Wong, A Reményi, BJ Yeh, JS Fraser, ... Proceedings of the National Academy of Sciences 109 (14), 5277-5282, 2012 | 89 | 2012 |
Predicting and interpreting large-scale mutagenesis data using analyses of protein stability and conservation MH Høie, M Cagiada, AHB Frederiksen, A Stein, K Lindorff-Larsen Cell reports 38 (2), 2022 | 79 | 2022 |
Uncovering new substrates for Aurora A kinase T Sardon, RA Pache, A Stein, H Molina, I Vernos, P Aloy EMBO reports 11 (12), 977-984, 2010 | 77 | 2010 |
Novel peptide-mediated interactions derived from high-resolution 3-dimensional structures A Stein, P Aloy PLoS computational biology 6 (5), e1000789, 2010 | 71 | 2010 |
Understanding the origins of loss of protein function by analyzing the effects of thousands of variants on activity and abundance M Cagiada, KE Johansson, A Valanciute, SV Nielsen, ... Molecular Biology and Evolution 38 (8), 3235-3246, 2021 | 66 | 2021 |
Toward mechanistic models for genotype–phenotype correlations in phenylketonuria using protein stability calculations R Scheller, A Stein, SV Nielsen, FI Marin, AM Gerdes, M Di Marco, ... Human mutation 40 (4), 444-457, 2019 | 57 | 2019 |