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1.
AutoDesigner, a De Novo Design Algorithm for Rapidly Exploring Large Chemical Space for Lead Optimization: Application to the Design and Synthesis of d-Amino Acid Oxidase Inhibitors.
J Chem Inf Model;
62(8): 1905-1915, 2022 04 25.
Artículo
en Inglés
| MEDLINE | ID: mdl-35417149
2.
Massive Theoretical Screen of Hole Conducting Organic Materials in the Heteroacene Family by Using a Cloud-Computing Environment.
J Phys Chem A;
124(10): 1981-1992, 2020 Mar 12.
Artículo
en Inglés
| MEDLINE | ID: mdl-32069044
3.
Reliable and Accurate Solution to the Induced Fit Docking Problem for Protein-Ligand Binding.
J Chem Theory Comput;
17(4): 2630-2639, 2021 Apr 13.
Artículo
en Inglés
| MEDLINE | ID: mdl-33779166
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