Detalhe da pesquisa
1.
SARS-CoV-2 main protease mutation analysis via a kinematic method.
Proteins
; 91(11): 1496-1509, 2023 Nov.
Artigo
em Inglês
| MEDLINE | ID: mdl-37408369
2.
Kinematic Vibrational Entropy Assessment and Analysis of SARS CoV-2 Main Protease.
J Chem Inf Model
; 62(11): 2869-2879, 2022 06 13.
Artigo
em Inglês
| MEDLINE | ID: mdl-35594568
3.
AtomNet PoseRanker: Enriching Ligand Pose Quality for Dynamic Proteins in Virtual High-Throughput Screens.
J Chem Inf Model
; 62(5): 1178-1189, 2022 03 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-35235748
4.
Cryo-EM structures of Helicobacter pylori vacuolating cytotoxin A oligomeric assemblies at near-atomic resolution.
Proc Natl Acad Sci U S A
; 116(14): 6800-6805, 2019 04 02.
Artigo
em Inglês
| MEDLINE | ID: mdl-30894496
5.
Mix-and-inject XFEL crystallography reveals gated conformational dynamics during enzyme catalysis.
Proc Natl Acad Sci U S A
; 116(51): 25634-25640, 2019 12 17.
Artigo
em Inglês
| MEDLINE | ID: mdl-31801874
6.
Modeling of Hidden Structures Using Sparse Chemical Shift Data from NMR Relaxation Dispersion.
Biophys J
; 120(2): 296-305, 2021 01 19.
Artigo
em Inglês
| MEDLINE | ID: mdl-33301748
7.
Shining light on cysteine modification: connecting protein conformational dynamics to catalysis and regulation.
J Synchrotron Radiat
; 26(Pt 4): 958-966, 2019 Jul 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-31274417
8.
Collision-free poisson motion planning in ultra high-dimensional molecular conformation spaces.
J Comput Chem
; 39(12): 711-720, 2018 05 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-29315667
9.
Integrative, dynamic structural biology at atomic resolution--it's about time.
Nat Methods
; 12(4): 307-18, 2015 Apr.
Artigo
em Inglês
| MEDLINE | ID: mdl-25825836
10.
Fast, clash-free RNA conformational morphing using molecular junctions.
Bioinformatics
; 33(14): 2114-2122, 2017 Jul 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-28334257
11.
Kinematic Flexibility Analysis: Hydrogen Bonding Patterns Impart a Spatial Hierarchy of Protein Motion.
J Chem Inf Model
; 58(10): 2108-2122, 2018 10 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-30240209
12.
Frustration-guided motion planning reveals conformational transitions in proteins.
Proteins
; 85(10): 1795-1807, 2017 Oct.
Artigo
em Inglês
| MEDLINE | ID: mdl-28597937
13.
Conformational variation of proteins at room temperature is not dominated by radiation damage.
J Synchrotron Radiat
; 24(Pt 1): 73-82, 2017 01 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-28009548
14.
Integrated description of protein dynamics from room-temperature X-ray crystallography and NMR.
Proc Natl Acad Sci U S A
; 111(4): E445-54, 2014 Jan 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-24474795
15.
Automated identification of functional dynamic contact networks from X-ray crystallography.
Nat Methods
; 10(9): 896-902, 2013 Sep.
Artigo
em Inglês
| MEDLINE | ID: mdl-23913260
16.
Exposing Hidden Alternative Backbone Conformations in X-ray Crystallography Using qFit.
PLoS Comput Biol
; 11(10): e1004507, 2015 Oct.
Artigo
em Inglês
| MEDLINE | ID: mdl-26506617
17.
Nullspace Sampling with Holonomic Constraints Reveals Molecular Mechanisms of Protein Gαs.
PLoS Comput Biol
; 11(7): e1004361, 2015 Jul.
Artigo
em Inglês
| MEDLINE | ID: mdl-26218073
18.
Characterizing RNA ensembles from NMR data with kinematic models.
Nucleic Acids Res
; 42(15): 9562-72, 2014 Sep.
Artigo
em Inglês
| MEDLINE | ID: mdl-25114056
19.
Geometric analysis characterizes molecular rigidity in generic and non-generic protein configurations.
J Mech Phys Solids
; 83: 36-47, 2015 Oct 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-26213417
20.
Accessing protein conformational ensembles using room-temperature X-ray crystallography.
Proc Natl Acad Sci U S A
; 108(39): 16247-52, 2011 Sep 27.
Artigo
em Inglês
| MEDLINE | ID: mdl-21918110