Detalhe da pesquisa
1.
Smallest Maximum Intramolecular Distance: A Novel Method to Mitigate Pregnane Xenobiotic Receptor Activation.
J Chem Inf Model
; 60(4): 2091-2099, 2020 04 27.
Artigo
em Inglês
| MEDLINE | ID: mdl-32131596
2.
D3R grand challenge 4: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J Comput Aided Mol Des
; 34(2): 99-119, 2020 02.
Artigo
em Inglês
| MEDLINE | ID: mdl-31974851
3.
A Brief Recent History of Women in Computational Chemistry at Vertex Pharmaceuticals.
J Chem Inf Model
; 59(5): 1693-1696, 2019 05 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-30620568
4.
Indole acids as a novel PDE2 inhibitor chemotype that demonstrate pro-cognitive activity in multiple species.
Bioorg Med Chem Lett
; 28(6): 1122-1126, 2018 04 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-29534798
5.
Computational Chemistry: A Rising Tide of Women.
J Chem Inf Model
; 58(5): 911-915, 2018 05 29.
Artigo
em Inglês
| MEDLINE | ID: mdl-29624375
6.
Modeling & Informatics at Vertex Pharmaceuticals Incorporated: our philosophy for sustained impact.
J Comput Aided Mol Des
; 31(3): 293-300, 2017 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-27900588
7.
Discovery of pyrazolopyrimidine phosphodiesterase 10A inhibitors for the treatment of schizophrenia.
Bioorg Med Chem Lett
; 26(1): 126-32, 2016 Jan 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-26602277
8.
Prediction of Protein Pairs Sharing Common Active Ligands Using Protein Sequence, Structure, and Ligand Similarity.
J Chem Inf Model
; 56(9): 1734-45, 2016 09 26.
Artigo
em Inglês
| MEDLINE | ID: mdl-27559831
9.
Collaborating to improve the use of free-energy and other quantitative methods in drug discovery.
J Comput Aided Mol Des
; 30(12): 1139-1141, 2016 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-28013427
10.
Discovery of [¹¹C]MK-8193 as a PET tracer to measure target engagement of phosphodiesterase 10A (PDE10A) inhibitors.
Bioorg Med Chem Lett
; 25(21): 4893-4898, 2015 Nov 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-26077491
11.
Methyl-substitution of an iminohydantoin spiropiperidine ß-secretase (BACE-1) inhibitor has a profound effect on its potency.
Bioorg Med Chem Lett
; 25(21): 4812-4819, 2015 Nov 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-26195137
12.
Shaping suvorexant: application of experimental and theoretical methods for driving synthetic designs.
J Comput Aided Mol Des
; 28(1): 5-12, 2014 Jan.
Artigo
em Inglês
| MEDLINE | ID: mdl-24488306
13.
Discovery of MK-8189, a Highly Potent and Selective PDE10A Inhibitor for the Treatment of Schizophrenia.
J Med Chem
; 66(2): 1157-1171, 2023 01 26.
Artigo
em Inglês
| MEDLINE | ID: mdl-36624931
14.
Antiviral activity and in vitro mutation development pathways of MK-6186, a novel nonnucleoside reverse transcriptase inhibitor.
Antimicrob Agents Chemother
; 56(6): 3324-35, 2012 Jun.
Artigo
em Inglês
| MEDLINE | ID: mdl-22391531
15.
Discovery of pyrrolidine-based ß-secretase inhibitors: lead advancement through conformational design for maintenance of ligand binding efficiency.
Bioorg Med Chem Lett
; 22(1): 240-4, 2012 Jan 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-22130130
16.
Discovery of tetrahydropyridopyrimidine phosphodiesterase 10A inhibitors for the treatment of schizophrenia.
Bioorg Med Chem Lett
; 22(18): 5903-8, 2012 Sep 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-22892116
17.
Small molecule mimetics of an HIV-1 gp41 fusion intermediate as vaccine leads.
J Biol Chem
; 285(52): 40604-11, 2010 Dec 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-20943652
18.
Design and synthesis of pyridone inhibitors of non-nucleoside reverse transcriptase.
Bioorg Med Chem Lett
; 21(24): 7344-50, 2011 Dec 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-22071300
19.
Pyridyl amides as potent inhibitors of T-type calcium channels.
Bioorg Med Chem Lett
; 21(6): 1692-6, 2011 Mar 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-21316226
20.
Distinct mutation pathways of non-subtype B HIV-1 during in vitro resistance selection with nonnucleoside reverse transcriptase inhibitors.
Antimicrob Agents Chemother
; 54(11): 4812-24, 2010 Nov.
Artigo
em Inglês
| MEDLINE | ID: mdl-20805392