Search details
1.
Are Deep Learning Structural Models Sufficiently Accurate for Virtual Screening? Application of Docking Algorithms to AlphaFold2 Predicted Structures.
J Chem Inf Model
; 63(6): 1668-1674, 2023 03 27.
Article
in English
| MEDLINE | ID: mdl-36892986
2.
Are Deep Learning Structural Models Sufficiently Accurate for Free-Energy Calculations? Application of FEP+ to AlphaFold2-Predicted Structures.
J Chem Inf Model
; 62(18): 4351-4360, 2022 09 26.
Article
in English
| MEDLINE | ID: mdl-36099477
3.
Targeted Degradation of the Oncogenic Phosphatase SHP2.
Biochemistry
; 60(34): 2593-2609, 2021 08 31.
Article
in English
| MEDLINE | ID: mdl-34411482
4.
Activation loop targeting strategy for design of receptor-interacting protein kinase 2 (RIPK2) inhibitors.
Bioorg Med Chem Lett
; 28(4): 577-583, 2018 02 15.
Article
in English
| MEDLINE | ID: mdl-29409752
5.
Discovery of LRRK2 inhibitors using sequential in silico joint pharmacophore space (JPS) and ensemble docking.
Bioorg Med Chem Lett
; 25(13): 2713-9, 2015 Jul 01.
Article
in English
| MEDLINE | ID: mdl-25998502
6.
Type II kinase inhibitors show an unexpected inhibition mode against Parkinson's disease-linked LRRK2 mutant G2019S.
Biochemistry
; 52(10): 1725-36, 2013 Mar 12.
Article
in English
| MEDLINE | ID: mdl-23379419
7.
Discovery and Optimization of a STING Agonist Platform for Application in Antibody Drug Conjugates.
J Med Chem
; 66(15): 10715-10733, 2023 08 10.
Article
in English
| MEDLINE | ID: mdl-37486969
8.
Fluorescence polarization assay for inhibitors of the kinase domain of receptor interacting protein 1.
Anal Biochem
; 427(2): 164-74, 2012 Aug 15.
Article
in English
| MEDLINE | ID: mdl-22658960
9.
Structure-activity relationship study of selective benzimidazole-based inhibitors of Cryptosporidium parvum IMPDH.
Bioorg Med Chem Lett
; 22(5): 1985-8, 2012 Mar 01.
Article
in English
| MEDLINE | ID: mdl-22310229
10.
Structure-activity relationship study of beta-carboline derivatives as haspin kinase inhibitors.
Bioorg Med Chem Lett
; 22(5): 2015-9, 2012 Mar 01.
Article
in English
| MEDLINE | ID: mdl-22335895
11.
Engineered disulfide bonds restore chaperone-like function of DJ-1 mutants linked to familial Parkinson's disease.
Biochemistry
; 49(27): 5624-33, 2010 Jul 13.
Article
in English
| MEDLINE | ID: mdl-20527929
12.
Design, Synthesis, and Biological Evaluation of a Series of Oxazolone Carboxamides as a Novel Class of Acid Ceramidase Inhibitors.
J Med Chem
; 63(24): 15821-15851, 2020 12 24.
Article
in English
| MEDLINE | ID: mdl-33290061
13.
Inosine-5'-monophosphate dehydrogenase (IMPDH) inhibitors: a patent and scientific literature review (2002-2016).
Expert Opin Ther Pat
; 27(6): 677-690, 2017 Jun.
Article
in English
| MEDLINE | ID: mdl-28074661
14.
Cocrystal structures of diaminopimelate decarboxylase: mechanism, evolution, and inhibition of an antibiotic resistance accessory factor.
Structure
; 10(11): 1499-508, 2002 Nov.
Article
in English
| MEDLINE | ID: mdl-12429091
15.
Structure guided design of potent and selective ponatinib-based hybrid inhibitors for RIPK1.
Cell Rep
; 10(11): 1850-60, 2015 Mar 24.
Article
in English
| MEDLINE | ID: mdl-25801024
16.
Enzymatic Characterization of ER Stress-Dependent Kinase, PERK, and Development of a High-Throughput Assay for Identification of PERK Inhibitors.
J Biomol Screen
; 19(7): 1024-34, 2014 Aug.
Article
in English
| MEDLINE | ID: mdl-24598103
17.
Improving binding specificity of pharmacological chaperones that target mutant superoxide dismutase-1 linked to familial amyotrophic lateral sclerosis using computational methods.
J Med Chem
; 53(7): 2709-18, 2010 Apr 08.
Article
in English
| MEDLINE | ID: mdl-20232802
18.
X-ray structure of an M. jannaschii DNA-binding protein: implications for antibiotic resistance in S. aureus.
Proteins
; 50(1): 170-3, 2003 Jan 01.
Article
in English
| MEDLINE | ID: mdl-12471609
19.
Destabilization of DJ-1 by familial substitution and oxidative modifications: implications for Parkinson's disease.
Biochemistry
; 46(19): 5776-89, 2007 May 15.
Article
in English
| MEDLINE | ID: mdl-17451229
20.
Structural basis for conformational plasticity of the Parkinson's disease-associated ubiquitin hydrolase UCH-L1.
Proc Natl Acad Sci U S A
; 103(12): 4675-80, 2006 Mar 21.
Article
in English
| MEDLINE | ID: mdl-16537382