Results 171 to 180 of about 41,014 (318)

Synthesis of Dendritic Oligo‐Glycerol Amphiphiles with Different Hydrophobic Segments to Improve their Performance as Nanocarriers

ChemistryOpen, EarlyView.
The synthesized dendritic oligoglycerol amphiphiles with different hydrophobic moieties show efficient micelle formation at low concentrations (CMC: 0.3–1.1 mg/mL) and a strong drug loading capacity, especially for Nile red and nimodipine. Long alkyl chains (C12) improve cargo encapsulation and biocompatibility, while release kinetics suggest potential
Pooja Kumari, Christian Zoister, Natalie Hanheiser, Hesam Makki, Boris Schade, Mathias Dimde, Katharina Achazi, Sumit Kumar, Rainer Haag, Abhishek K. Singh   +9 more
wiley   +1 more source

OPL volume 1776 Cover and Front matter [PDF]

, 2015

openalex   +1 more source

Design, Synthesis, and In Silico Insights of new 4‐Piperazinylquinolines as Antiproliferative Agents against NCI Renal Cancer Cell Lines

ChemistryOpen, EarlyView.
A novel series of hybrid 4‐(4‐benzoylpiperazin‐1‐yl)‐6‐nitroquinoline‐3‐carbonitrile derivatives has been designed, synthetized and evaluated for anticancer properties on the NCI60 panel. Strong antiproliferative effects have been detected against renal cancer cells.
Gabriele La Monica, Alessia Bono, Federica Alamia, Annamaria Martorana, Antonino Lauria   +4 more
wiley   +1 more source

The Interplay of Inter- and Intramolecular Hydrogen Bonding in Ether Alcohols Related to n-Octanol. [PDF]

Molecules
Hoffmann MM, Smith TN, Buntkowsky G.
europepmc   +1 more source

Revisiting OPLS Force Field Parameters for Ionic Liquid Simulations [PDF]

, 2017
Brian Doherty, Xiang Zhong, Symon Gathiaka, Bin Li, Orlando Acevedo   +4 more
openalex   +1 more source

Evaluation of nine condensed-phase force fields of the GROMOS, CHARMM, OPLS, AMBER, and OpenFF families against experimental cross-solvation free energies

, 2021
Sadra Kashefolgheta, Shuzhe Wang, William E. Acree, Philippe H. Hünenberger   +3 more
openalex   +2 more sources

Challenges in Mechanistic Investigation of a Flexible Aminocatalyst as Demonstrated through Enamine Formation

ChemistryOpen, EarlyView.
The enamine formation catalyzed by a flexible asymmetric tripeptide is studied computationally. The catalyst's ability to reorganize plays a crucial role, enabling the reaction and providing multiple pathways for its occurrence. Furthermore, issues related to conformational search, method selection, and model system choices are discussed.
Irina Osadchuk, Tõnis Kanger
wiley   +1 more source

Variables of importance in the projection (VIP) list with values > 1 from OPLS-DA analysis of Citrus samples inoculated with Xanthomonas citri subs. citri

, 2021
Luiz Leonardo Saldanha
openalex   +2 more sources

Integrative Modeling in the Age of Machine Learning: A Summary of HADDOCK Strategies in CAPRI Rounds 47–55

Proteins: Structure, Function, and Bioinformatics, EarlyView.
ABSTRACT The HADDOCK team participated in CAPRI rounds 47–55 as server, manual predictor, and scorers. Throughout these CAPRI rounds, we used a plethora of computational strategies to predict the structure of protein complexes. Of the 10 targets comprising 24 interfaces, we achieved acceptable or better models for 3 targets in the human category and 1 ...
Victor Reys, Marco Giulini, Vlad Cojocaru, Anna Engel, Xiaotong Xu, Jorge Roel‐Touris, Cunliang Geng, Francesco Ambrosetti, Brian Jiménez‐García, Zuzana Jandova, Panagiotis I. Koukos, Charlotte van Noort, João M. C. Teixeira, Siri C. van Keulen, Manon Réau, Rodrigo V. Honorato, Alexandre M. J. J. Bonvin   +16 more
wiley   +1 more source

Chemometrics for Discriminating the Geographical Origin of Korean and Imported Wheat Flour. [PDF]

J Food Sci
Sim KS, Kim H, Kim YK, Kim HJ.
europepmc   +1 more source