Detalhe da pesquisa
1.
The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods.
Nucleic Acids Res;
52(D1): D1180-D1192, 2024 Jan 05.
Artigo
em Inglês
| MEDLINE
| ID: mdl-37933841
2.
Interpreting Thermodynamic Profiles of Aminoadamantane Compounds Inhibiting the M2 Proton Channel of Influenza A by Free Energy Calculations.
J Chem Inf Model;
56(1): 110-26, 2016 Jan 25.
Artigo
em Inglês
| MEDLINE
| ID: mdl-26690735
3.
Alchemical Free Energy Calculations and Isothermal Titration Calorimetry Measurements of Aminoadamantanes Bound to the Closed State of Influenza A/M2TM.
J Chem Inf Model;
56(5): 862-76, 2016 05 23.
Artigo
em Inglês
| MEDLINE
| ID: mdl-27105206
4.
Dynamic design: manipulation of millisecond timescale motions on the energy landscape of cyclophilin A.
Chem Sci;
11(10): 2670-2680, 2020 Jan 15.
Artigo
em Inglês
| MEDLINE
| ID: mdl-34084326
5.
A computationally designed binding mode flip leads to a novel class of potent tri-vector cyclophilin inhibitors.
Chem Sci;
10(2): 542-547, 2019 Jan 14.
Artigo
em Inglês
| MEDLINE
| ID: mdl-30746096
6.
Pushing the Limits of Detection of Weak Binding Using Fragment-Based Drug Discovery: Identification of New Cyclophilin Binders.
J Mol Biol;
429(16): 2556-2570, 2017 08 04.
Artigo
em Inglês
| MEDLINE
| ID: mdl-28673552
7.
Resistance-Mutation (N31) Effects on Drug Orientation and Channel Hydration in Amantadine-Bound Influenza A M2.
J Phys Chem B;
119(35): 11548-59, 2015 Sep 03.
Artigo
em Inglês
| MEDLINE
| ID: mdl-26268449