Detalhe da pesquisa
1.
An exploration of machine learning models for the determination of reaction coordinates associated with conformational transitions.
J Chem Phys
; 159(3)2023 Jul 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-37458344
2.
Taming the Topology of Calix[4]arene-Based 2D-Covalent Organic Frameworks: Interpenetrated vs Noninterpenetrated Frameworks and Their Selective Removal of Cationic Dyes.
J Am Chem Soc
; 143(9): 3407-3415, 2021 03 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-33629851
3.
A Kirkwood-Buff derived force field for alkaline earth halide salts.
J Chem Phys
; 148(22): 222828, 2018 Jun 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-29907021
4.
Refining the RNA Force Field with Small-Angle X-ray Scattering of Helix-Junction-Helix RNA.
J Phys Chem Lett
; 13(15): 3400-3408, 2022 Apr 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-35404614
5.
Covalent Organic Framework Based on Azacalix[4]arene for the Efficient Capture of Dialysis Waste Products.
ACS Appl Mater Interfaces
; 14(34): 39293-39298, 2022 Aug 31.
Artigo
em Inglês
| MEDLINE | ID: mdl-35994411
6.
Kirkwood-Buff-Derived Force Field for Peptides and Proteins: Philosophy and Development of KBFF20.
J Chem Theory Comput
; 17(5): 2964-2990, 2021 May 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-33878263