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1.
A lysine-cysteine redox switch with an NOS bridge regulates enzyme function.
Nature
; 593(7859): 460-464, 2021 05.
Article
in English
| MEDLINE | ID: mdl-33953398
2.
Low-barrier hydrogen bonds in enzyme cooperativity.
Nature
; 573(7775): 609-613, 2019 09.
Article
in English
| MEDLINE | ID: mdl-31534226
3.
Widespread occurrence of covalent lysine-cysteine redox switches in proteins.
Nat Chem Biol
; 18(4): 368-375, 2022 04.
Article
in English
| MEDLINE | ID: mdl-35165445
4.
Modulating Secondary Structure Motifs Through Photo-Labile Peptide Staples.
Chembiochem
; 24(16): e202300270, 2023 08 15.
Article
in English
| MEDLINE | ID: mdl-37216330
5.
One- and Two-Electron Reductions in MiniSOG and their Implication in Catalysis.
Chemphyschem
; 24(15): e202300091, 2023 Aug 01.
Article
in English
| MEDLINE | ID: mdl-37191047
6.
The Catalytic Mechanism of Acetoacetate Decarboxylase: A Detailed Study of Schiff Base Formation, Protonation States, and Their Impact on Catalysis.
J Chem Inf Model
; 63(10): 3118-3127, 2023 05 22.
Article
in English
| MEDLINE | ID: mdl-37127583
7.
Mechanisms of Cysteine-Lysine Covalent Linkage-The Role of Reactive Oxygen Species and Competition with Disulfide Bonds.
Angew Chem Int Ed Engl
; 62(36): e202304163, 2023 Sep 04.
Article
in English
| MEDLINE | ID: mdl-37294559
8.
Theoretical Studies of the Acid-Base Equilibria in a Model Active Site of the Human 20S Proteasome.
J Chem Inf Model
; 61(4): 1942-1953, 2021 04 26.
Article
in English
| MEDLINE | ID: mdl-33719420
9.
Can System Truncation Speed up Ligand-Binding Calculations with Periodic Free-Energy Simulations?
J Chem Inf Model
; 57(11): 2865-2873, 2017 11 27.
Article
in English
| MEDLINE | ID: mdl-29076739
10.
Photosensitization mechanism of Cu(ii) porphyrins.
Phys Chem Chem Phys
; 19(31): 20533-20540, 2017 Aug 09.
Article
in English
| MEDLINE | ID: mdl-28730196
11.
A computational study of radical initiated protein backbone homolytic dissociation on all natural amino acids.
Phys Chem Chem Phys
; 18(45): 30972-30981, 2016 Nov 16.
Article
in English
| MEDLINE | ID: mdl-27805199
12.
Multiple redox switches of the SARS-CoV-2 main protease in vitro provide opportunities for drug design.
Nat Commun
; 15(1): 411, 2024 Jan 09.
Article
in English
| MEDLINE | ID: mdl-38195625
13.
Dynamic Protonation States Underlie Carbene Formation in ThDP-Dependent Enzymes: A Theoretical Study.
J Phys Chem B
; 2023 Sep 25.
Article
in English
| MEDLINE | ID: mdl-37748048
14.
The nature of chemical bonds from PNOF5 calculations.
Chemphyschem
; 13(9): 2297-303, 2012 Jun 18.
Article
in English
| MEDLINE | ID: mdl-22615195
15.
Oxidation of Acid, Base, and Amide Side-Chain Amino Acid Derivatives via Hydroxyl Radical.
J Phys Chem B
; 122(19): 4956-4971, 2018 05 17.
Article
in English
| MEDLINE | ID: mdl-29676577
16.
Detecting the presence-absence of bluefin tuna by automated analysis of medium-range sonars on fishing vessels.
PLoS One
; 12(2): e0171382, 2017.
Article
in English
| MEDLINE | ID: mdl-28152032
17.
·OH Oxidation Toward S- and OH-Containing Amino Acids.
J Phys Chem B
; 119(50): 15430-42, 2015 Dec 17.
Article
in English
| MEDLINE | ID: mdl-26588251
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