Results 121 to 130 of about 59,986 (298)

Special issue on flexible molecular descriptors [PDF]

, 2014
Molecular indices are characterized by fixed numerical values, which are independent of the physical chemistry property or/and biological activity considered. Once the bonding pattern of a molecule is defined they can then be computed.
Castro, Eduardo A., Toropov, Andrey A.
core  

Residual tail twisting in ascidian larvae is stabilized by asymmetric myofibrils that resist bilateral symmetry restoration

FEBS Letters, EarlyView.
Ascidian Ciona larvae initially show strong clockwise tail twisting, which is largely corrected during development. However, a small residual twist remains. This study shows that organized helical myofibrils in tail muscles mechanically stabilize this residual asymmetry, preventing complete restoration of bilateral symmetry and revealing how embryos ...
Yuki S. Kogure, Misaki K. Nishio, Satoru Okuda, Kohji Hotta   +3 more
wiley   +1 more source

Search for Optimal Molecular Descriptors

, 1991
We illustrate, on a set of heptane isomers and van der Waals molecular areas as a property, a search for optimal descriptors to be used in multivariate analyses.
Milan Randić, Randić, Milan
core  

The human gut microbiome across the life course

FEBS Letters, EarlyView.
Despite significant individual variation and continuous change throughout life, the human gut microbiome follows some life stage‐specific trends. This article provides a brief overview of how gut microbiome composition shifts across different phases of life. Created in BioRender. Özkurt, E. (2026) https://BioRender.com/8q4nrnc.
Alise J. Ponsero, Basak Bahcivanci, Antonietta Hayhoe, Animesh Acharjee, Ezgi Özkurt   +4 more
wiley   +1 more source

A novel hybrid ultrafast shape descriptor method for use in virtual screening

, 2008
The authors thank the EPSRC and Unilever plc for funding.Background We have introduced a new Hybrid descriptor composed of the MACCS key descriptor encoding topological information and Ballester and Richards' Ultrafast Shape Recognition (USR) descriptor.
Nigsch, F, John BO Mitchell, Edward O Cannon, Cannon, Edward O, Cannon Edward O, Mitchell John BO, Nigsch Florian, Cannon, EO, Mitchell, John Blayney Owen, Florian Nigsch   +9 more
core   +1 more source

molecular descriptor

Citation: 'molecular descriptor' in the IUPAC Compendium of Chemical Terminology, 5th ed.; International Union of Pure and Applied Chemistry; 2025. Online version 5.0.0, 2025. 10.1351/goldbook.12683 • License: The IUPAC Gold Book is licensed under Creative Commons Attribution-ShareAlike CC BY-SA 4.0 International for individual terms ...
openaire   +1 more source

Septin 9 PB domains coordinate centrosome positioning and microtubule acetylation to control epithelial polarity

FEBS Letters, EarlyView.
Septin 9 polybasic domains couple phosphoinositide‐rich membrane binding to centrosome positioning, Golgi organization, and microtubule acetylation to control epithelial polarity. Their loss disrupts this axis, causing centrosome mispositioning, Golgi fragmentation, reduced microtubule acetylation, and polarity inversion via upregulation of the ...
Ting ting Cai, Mohyeddine Omrane, Nassima Benzoubir, Didier Samuel, Ama Gassama‐Diagne   +4 more
wiley   +1 more source

Molecular surface descriptors to predict antibody developability: sensitivity to parameters, structure models, and conformational sampling

mAbs
In silico assessment of antibody developability during early lead candidate selection and optimization is of paramount importance, offering a rapid and material-free screening approach.
Eliott Park, Saeed Izadi
doaj   +1 more source

A novel perspective for M-polynomials to compute molecular descriptors of borophene nanosheet. [PDF]

Sci Rep, 2023
Ismail R, Baby A, Xavier DA, Varghese ES, Ghani MU, Nair AT, Karamti H.   +6 more
europepmc   +1 more source

Rab14 regulates the transport of human papillomavirus to the trans‐Golgi network for infectious cell entry

FEBS Letters, EarlyView.
This study reveals that the small GTPase Rab14 is necessary for human papillomavirus (HPV) infection and plays an essential role in the transport of virions to the trans‐Golgi network (TGN). HPV in the early endosome (EE), which harbors GTP‐bound Rab14, is transported to the TGN through the switch of Rab14 from its GTP‐bound to GDP‐bound form.
Yoshiyuki Ishii, Iwao Kukimoto
wiley   +1 more source