Detalhe da pesquisa
1.
Detoxified synthetic bacterial membrane vesicles as a vaccine platform against bacteria and SARS-CoV-2.
J Nanobiotechnology
; 21(1): 156, 2023 May 19.
Artigo
em Inglês
| MEDLINE | ID: mdl-37208676
2.
On the Value of Using 3D Shape and Electrostatic Similarities in Deep Generative Methods.
J Chem Inf Model
; 62(6): 1388-1398, 2022 03 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-35271260
3.
Identification and analyses of inhibitors targeting apolipoprotein(a) kringle domains KIV-7, KIV-10, and KV provide insight into kringle domain function.
J Biol Chem
; 295(15): 5136-5151, 2020 04 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-32132173
4.
Deep Reinforcement Learning for Multiparameter Optimization in de novo Drug Design.
J Chem Inf Model
; 59(7): 3166-3176, 2019 07 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-31273995
5.
ReFlex3D: Refined Flexible Alignment of Molecules Using Shape and Electrostatics.
J Chem Inf Model
; 58(4): 747-760, 2018 04 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-29600850
6.
Discovery and Evaluation of Anti-Fibrinolytic Plasmin Inhibitors Derived from 5-(4-Piperidyl)isoxazol-3-ol (4-PIOL).
J Chem Inf Model
; 57(7): 1703-1714, 2017 07 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-28653850
7.
Women's Experiences of Undergoing Total Knee Joint Replacement Surgery.
J Perianesth Nurs
; 32(2): 86-95, 2017 Apr.
Artigo
em Inglês
| MEDLINE | ID: mdl-28343648
8.
Molecular Rift: Virtual Reality for Drug Designers.
J Chem Inf Model
; 55(11): 2475-84, 2015 Nov 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-26558887
9.
Lactam sulfonamides as potent inhibitors of the Kv1.5 potassium ion channel.
Bioorg Med Chem Lett
; 24(5): 1269-73, 2014 Mar 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-24513046
10.
A new module for constrained multi-fragment geometry optimization in internal coordinates implemented in the MOLCAS package.
J Comput Chem
; 34(30): 2657-65, 2013 Nov 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-24006272
11.
Synthesis and evaluation of diphenylphosphinic amides and diphenylphosphine oxides as inhibitors of Kv1.5.
Bioorg Med Chem Lett
; 23(3): 706-10, 2013 Feb 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-23260347
12.
Exploiting structural information in patent specifications for key compound prediction.
J Chem Inf Model
; 52(6): 1480-9, 2012 Jun 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-22639789
13.
A novel series of piperazinyl-pyridine ureas as antagonists of the purinergic P2Y12 receptor.
Bioorg Med Chem Lett
; 21(10): 2877-81, 2011 May 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-21507636
14.
A NEMO potential that includes the dipole-quadrupole and quadrupole-quadrupole polarizability.
J Comput Chem
; 31(8): 1583-91, 2010 Jun.
Artigo
em Inglês
| MEDLINE | ID: mdl-20222056
15.
Novel thioamide derivatives as neutral CB1 receptor antagonists.
Bioorg Med Chem Lett
; 20(2): 479-82, 2010 Jan 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-20005704
16.
Can easy chemistry produce complex, diverse, and novel molecules?
Drug Discov Today
; 25(12): 2174-2181, 2020 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-33010477
17.
Design of a small molecule that stimulates vascular endothelial growth factor A enabled by screening RNA fold-small molecule interactions.
Nat Chem
; 12(10): 952-961, 2020 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-32839603
18.
A High-Throughput Method for Screening for Genes Controlling Bacterial Conjugation of Antibiotic Resistance.
mSystems
; 5(6)2020 Dec 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-33361328
19.
Where Do Recent Small Molecule Clinical Development Candidates Come From?
J Med Chem
; 61(21): 9442-9468, 2018 11 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-29920198
20.
Expanding the medicinal chemistry synthetic toolbox.
Nat Rev Drug Discov
; 17(12): 922, 2018 Nov 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-30482954