Detalhe da pesquisa
1.
Structures of synaptic vesicle protein 2A and 2B bound to anticonvulsants.
Nat Struct Mol Biol;
2024 Jun 19.
Artigo
em Inglês
| MEDLINE | ID: mdl-38898101
2.
Cyclobutane-bearing restricted anchoring residues enabled geometry-specific hydrocarbon peptide stapling.
Chem Sci;
14(41): 11499-11506, 2023 Oct 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-37886087
3.
Design and Preclinical Characterization Program toward Asundexian (BAY 2433334), an Oral Factor XIa Inhibitor for the Prevention and Treatment of Thromboembolic Disorders.
J Med Chem;
66(17): 12203-12224, 2023 09 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-37669040
4.
Target 2035 - an update on private sector contributions.
RSC Med Chem;
14(6): 1002-1011, 2023 Jun 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-37360399
5.
CACHE (Critical Assessment of Computational Hit-finding Experiments): A public-private partnership benchmarking initiative to enable the development of computational methods for hit-finding.
Nat Rev Chem;
6(4): 287-295, 2022 Apr.
Artigo
em Inglês
| MEDLINE | ID: mdl-35783295
6.
Target 2035 - update on the quest for a probe for every protein.
RSC Med Chem;
13(1): 13-21, 2022 Jan 27.
Artigo
em Inglês
| MEDLINE | ID: mdl-35211674
7.
Machine Learning Applied to the Modeling of Pharmacological and ADMET Endpoints.
Methods Mol Biol;
2390: 61-101, 2022.
Artigo
em Inglês
| MEDLINE | ID: mdl-34731464
8.
Design, Synthesis, and Pharmacological Characterization of a Neutral, Non-Prodrug Thrombin Inhibitor with Good Oral Pharmacokinetics.
J Med Chem;
63(21): 12574-12594, 2020 11 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-33108181
9.
Druggability Assessment for Selected Serine Proteases in a Pharmaceutical Industry Setting.
ChemMedChem;
15(21): 2010-2018, 2020 11 04.
Artigo
em Inglês
| MEDLINE | ID: mdl-32776472
10.
Bayer's in silico ADMET platform: a journey of machine learning over the past two decades.
Drug Discov Today;
25(9): 1702-1709, 2020 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-32652309
11.
Structure-Permeability Relationship of Semipeptidic Macrocycles-Understanding and Optimizing Passive Permeability and Efflux Ratio.
J Med Chem;
63(13): 6774-6783, 2020 07 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-32453569
12.
Prediction of Oral Bioavailability in Rats: Transferring Insights from in Vitro Correlations to (Deep) Machine Learning Models Using in Silico Model Outputs and Chemical Structure Parameters.
J Chem Inf Model;
59(11): 4893-4905, 2019 11 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-31714067
13.
An approach towards enhancement of a screening library: The Next Generation Library Initiative (NGLI) at Bayer - against all odds?
Drug Discov Today;
24(3): 668-672, 2019 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-30562586
14.
Reliable and Performant Identification of Low-Energy Conformers in the Gas Phase and Water.
J Chem Inf Model;
58(5): 1005-1020, 2018 05 29.
Artigo
em Inglês
| MEDLINE | ID: mdl-29717870
15.
Computational Chemistry in the Pharmaceutical Industry: From Childhood to Adolescence.
ChemMedChem;
10(12): 1958-62, 2015 Dec.
Artigo
em Inglês
| MEDLINE | ID: mdl-26358802
16.
Finerenone Impedes Aldosterone-dependent Nuclear Import of the Mineralocorticoid Receptor and Prevents Genomic Recruitment of Steroid Receptor Coactivator-1.
J Biol Chem;
290(36): 21876-89, 2015 Sep 04.
Artigo
em Inglês
| MEDLINE | ID: mdl-26203193
17.
Best of both worlds: combining pharma data and state of the art modeling technology to improve in Silico pKa prediction.
J Chem Inf Model;
55(2): 389-97, 2015 Feb 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-25514239
18.
Binding Free Energy Calculations for Lead Optimization: Assessment of Their Accuracy in an Industrial Drug Design Context.
J Chem Theory Comput;
10(8): 3331-44, 2014 Aug 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-26588302
19.
The lab oddity prevails: discovery of pan-CDK inhibitor (R)-S-cyclopropyl-S-(4-{[4-{[(1R,2R)-2-hydroxy-1-methylpropyl]oxy}-5-(trifluoromethyl)pyrimidin-2-yl]amino}phenyl)sulfoximide (BAY 1000394) for the treatment of cancer.
ChemMedChem;
8(7): 1067-85, 2013 Jul.
Artigo
em Inglês
| MEDLINE | ID: mdl-23671017
20.
Discovery of BAY 94-8862: a nonsteroidal antagonist of the mineralocorticoid receptor for the treatment of cardiorenal diseases.
ChemMedChem;
7(8): 1385-403, 2012 Aug.
Artigo
em Inglês
| MEDLINE | ID: mdl-22791416