Detalhe da pesquisa
1.
Combining machine learning with structure-based protein design to predict and engineer post-translational modifications of proteins.
PLoS Comput Biol
; 20(3): e1011939, 2024 Mar.
Artigo
em Inglês
| MEDLINE | ID: mdl-38484014
2.
Recent Advances in Automated Structure-Based De Novo Drug Design.
J Chem Inf Model
; 64(6): 1794-1805, 2024 Mar 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-38485516
3.
Computationally designed peptide macrocycle inhibitors of New Delhi metallo-ß-lactamase 1.
Proc Natl Acad Sci U S A
; 118(12)2021 03 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-33723038
4.
Modeling Immunity with Rosetta: Methods for Antibody and Antigen Design.
Biochemistry
; 60(11): 825-846, 2021 03 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-33705117
5.
Better together: Elements of successful scientific software development in a distributed collaborative community.
PLoS Comput Biol
; 16(5): e1007507, 2020 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-32365137
6.
Identification of a ubiquitin-binding interface using Rosetta and DEER.
Proc Natl Acad Sci U S A
; 115(3): 525-530, 2018 01 16.
Artigo
em Inglês
| MEDLINE | ID: mdl-29295930
7.
Engineering an allosteric transcription factor to respond to new ligands.
Nat Methods
; 13(2): 177-83, 2016 Feb.
Artigo
em Inglês
| MEDLINE | ID: mdl-26689263
8.
Mono(2-ethylhexyl) phthalate (MEHP) and mono(2-ethyl-5-oxohexyl) phthalate (MEOHP) but not di(2-ethylhexyl) phthalate (DEHP) bind productively to the peroxisome proliferator-activated receptor γ.
Rapid Commun Mass Spectrom
; 33 Suppl 1: 75-85, 2019 May.
Artigo
em Inglês
| MEDLINE | ID: mdl-30085373
9.
Rearrangement of the Extracellular Domain/Extracellular Loop 1 Interface Is Critical for Thyrotropin Receptor Activation.
J Biol Chem
; 291(27): 14095-14108, 2016 Jul 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-27129207
10.
Protocols for Molecular Modeling with Rosetta3 and RosettaScripts.
Biochemistry
; 55(34): 4748-63, 2016 Aug 30.
Artigo
em Inglês
| MEDLINE | ID: mdl-27490953
11.
REvoLd: Ultra-Large Library Screening with an Evolutionary Algorithm in Rosetta.
ArXiv
; 2024 Apr 26.
Artigo
em Inglês
| MEDLINE | ID: mdl-38711437
12.
Community-wide evaluation of methods for predicting the effect of mutations on protein-protein interactions.
Proteins
; 81(11): 1980-7, 2013 Nov.
Artigo
em Inglês
| MEDLINE | ID: mdl-23843247
13.
Computational enzyme design.
Angew Chem Int Ed Engl
; 52(22): 5700-25, 2013 May 27.
Artigo
em Inglês
| MEDLINE | ID: mdl-23526810
14.
Integrating Expert Knowledge with Deep Learning Improves QSAR Models for CADD Modeling.
bioRxiv
; 2023 Apr 18.
Artigo
em Inglês
| MEDLINE | ID: mdl-37131837
15.
Expanding the nucleotide and sugar 1-phosphate promiscuity of nucleotidyltransferase RmlA via directed evolution.
J Biol Chem
; 286(15): 13235-43, 2011 Apr 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-21317292
16.
Integrative model of the FSH receptor reveals the structural role of the flexible hinge region.
Structure
; 30(10): 1424-1431.e3, 2022 10 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-35973423
17.
Rosetta FlexPepDock to predict peptide-MHC binding: An approach for non-canonical amino acids.
PLoS One
; 17(12): e0275759, 2022.
Artigo
em Inglês
| MEDLINE | ID: mdl-36512534
18.
Efficient Sampling of Protein Loop Regions Using Conformational Hashing Complemented with Random Coordinate Descent.
J Chem Theory Comput
; 17(1): 560-570, 2021 Jan 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-33373213
19.
Ensuring scientific reproducibility in bio-macromolecular modeling via extensive, automated benchmarks.
Nat Commun
; 12(1): 6947, 2021 11 29.
Artigo
em Inglês
| MEDLINE | ID: mdl-34845212
20.
Delineating the Molecular Basis of the CalmodulinâbMunc13-2 Interaction by Cross-Linking/Mass Spectrometry-Evidence for a Novel CaM Binding Motif in bMunc13-2.
Cells
; 9(1)2020 01 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-31936129