Detalhe da pesquisa
1.
Sub 20 cm-1 computational prediction of the CH bond energy - a case of systematic error in computational thermochemistry.
Phys Chem Chem Phys
; 25(32): 21162-21172, 2023 Aug 16.
Artigo
em Inglês
| MEDLINE | ID: mdl-36200428
2.
Elaborated thermochemical treatment of HF, CO, N2, and H2O: Insight into HEAT and its extensions.
J Chem Phys
; 155(18): 184109, 2021 Nov 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-34773951
3.
Using isotopologues to probe the potential energy surface of reactions of C2H2 ++C3H4.
J Chem Phys
; 154(12): 124310, 2021 Mar 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-33810655
4.
Exhaustive Product Analysis of Three Benzene Discharges by Microwave Spectroscopy.
J Phys Chem A
; 124(25): 5170-5181, 2020 Jun 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-32437151
5.
Structure guided drug design to develop kallikrein 5 inhibitors to treat Netherton syndrome.
Bioorg Med Chem Lett
; 29(12): 1454-1458, 2019 06 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-31005442
6.
Kallikrein 5 inhibitors identified through structure based drug design in search for a treatment for Netherton Syndrome.
Bioorg Med Chem Lett
; 29(6): 821-825, 2019 03 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-30691925
7.
Design and development of a series of borocycles as selective, covalent kallikrein 5 inhibitors.
Bioorg Med Chem Lett
; 29(20): 126675, 2019 10 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-31521475
8.
High-accuracy extrapolated ab initio thermochemistry. IV. A modified recipe for computational efficiency.
J Chem Phys
; 150(22): 224102, 2019 Jun 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-31202223
9.
Thermal Decomposition of Potential Ester Biofuels. Part I: Methyl Acetate and Methyl Butanoate.
J Phys Chem A
; 121(24): 4658-4677, 2017 Jun 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-28517940
10.
Electron Transfer Facilitated by Dendrimer-Encapsulated Pt Nanoparticles Across Ultrathin, Insulating Oxide Films.
J Am Chem Soc
; 138(21): 6829-37, 2016 06 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-27192325
11.
Corrigendum to 'Design and development of a series of borocycles as selective, covalent kallikrein 5 inhibitors' [Bioorg. Med. Chem. Lett. 29 (2019) 126675].
Bioorg Med Chem Lett
; 30(2): 126771, 2020 Jan 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-31859161
12.
A Potent and Selective Kallikrein-5 Inhibitor Delivers High Pharmacological Activity in Skin from Patients with Netherton Syndrome.
J Invest Dermatol
; 141(9): 2272-2279, 2021 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-33744298
13.
Cocktailed fragment screening by X-ray crystallography of the antibacterial target undecaprenyl pyrophosphate synthase from Acinetobacter baumannii.
Acta Crystallogr F Struct Biol Commun
; 76(Pt 1): 40-46, 2020 Jan 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-31929185
14.
Evaluation of a crystallographic surrogate for kallikrein 5 in the discovery of novel inhibitors for Netherton syndrome.
Acta Crystallogr F Struct Biol Commun
; 75(Pt 5): 385-391, 2019 May 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-31045568
15.
Identification of a RIP1 Kinase Inhibitor Clinical Candidate (GSK3145095) for the Treatment of Pancreatic Cancer.
ACS Med Chem Lett
; 10(6): 857-862, 2019 Jun 13.
Artigo
em Inglês
| MEDLINE | ID: mdl-31223438
16.
Discovery and Lead-Optimization of 4,5-Dihydropyrazoles as Mono-Kinase Selective, Orally Bioavailable and Efficacious Inhibitors of Receptor Interacting Protein 1 (RIP1) Kinase.
J Med Chem
; 62(10): 5096-5110, 2019 05 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-31013427
17.
Unimolecular Reaction of Methyl Isocyanide to Acetonitrile: A High-Level Theoretical Study.
J Phys Chem Lett
; 9(10): 2532-2538, 2018 May 17.
Artigo
em Inglês
| MEDLINE | ID: mdl-29697985
18.
RIP1 Kinase Drives Macrophage-Mediated Adaptive Immune Tolerance in Pancreatic Cancer.
Cancer Cell
; 34(5): 757-774.e7, 2018 11 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-30423296
19.
Crystal structure of the complementary quadruplex formed by d(GCATGCT) at atomic resolution.
Nucleic Acids Res
; 31(3): 844-9, 2003 Feb 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-12560479
20.
Conformational and hydration effects of site-selective sodium, calcium and strontium ion binding to the DNA Holliday junction structure d(TCGGTACCGA)(4).
J Mol Biol
; 327(1): 97-109, 2003 Mar 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-12614611