Results 41 to 50 of about 551,885 (316)

Exploring the interactions between isoprenoid chain and labdenediol diphosphate synthase based on molecular docking and quartz crystal microbalance [PDF]

, 2014
Many natural products and biosynthetic intermediates contain isoprenoid chains. Isoprenoid chains are believed to interact with some proteins in the biological systems, but such interactions remain poorly understood. Here labdenediol diphosphate synthase
Zhao, Zongbao Kent, Zhang, Yixin, 刘武军, Liu, Wujun, Yang, Wei   +4 more
core   +1 more source

Insights into the molecular mechanisms of Huangqi decoction on liver fibrosis via computational systems pharmacology approaches

Chinese Medicine, 2021
Background The traditional Chinese medicine Huangqi decoction (HQD) consists of Radix Astragali and Radix Glycyrrhizae in a ratio of 6: 1, which has been used for the treatment of liver fibrosis.
Biting Wang, Zengrui Wu, Weihua Li, Guixia Liu, Yun Tang   +4 more
doaj   +1 more source

Re-Exploring the Ability of Common Docking Programs to Correctly Reproduce the Binding Modes of Non-Covalent Inhibitors of SARS-CoV-2 Protease M^pro

Pharmaceuticals, 2022
In the latest few decades, molecular docking has imposed itself as one of the most used approaches for computational drug discovery. Several docking benchmarks have been published, comparing the performance of different algorithms in respect to a ...
Davide Bassani, Matteo Pavan, Giovanni Bolcato, Mattia Sturlese, Stefano Moro   +4 more
doaj   +1 more source

Quaternions in molecular modeling [PDF]

Journal of Molecular Graphics and Modelling, 2007
Quaternions are an important tool to describe the orientation of a molecule. This paper considers the use of quaternions in matching two conformations of a molecule, in interpolating rotations, in performing statistics on orientational data, in the random sampling of rotations, and in establishing grids in orientation space.
openaire   +3 more sources

Re‐Irradiation in Pediatric Diffuse Midline Glioma: A Multi‐Institutional Retrospective Study

Pediatric Blood &Cancer, EarlyView.
ABSTRACT Background Children with recurrent diffuse midline gliomas (DMGs) have limited therapeutic options at recurrence. Re‐irradiation (RT2) may be used at progression, but with uncertainty about the benefit. Methods We conducted a multi‐institutional retrospective study of children aged < 18 with DMG treated at three centers (Toronto, Canada ...
Ajay Thomas Alex, Sean P. Hassan, Helen Benghiat, Liam Herbert, Jennifer Adamski, Shivani Bailey, Claire Esler, Louise Brookes, Molly Bamber, Grace Koudou, Karen Waite, Julie Bennett, Anirban Das, Derek S. Tsang   +13 more
wiley   +1 more source

Nutritional Systems Biology Modeling: From Molecular Mechanisms to Physiology [PDF]

, 2009
The use of computational modeling and simulation has increased in many biological fields, but despite their potential these techniques are only marginally applied in nutritional sciences.
Ommen, Ben van, De Roos Baukje, Ommen, Ben van,, van Ommen Ben, van Ommen, Ben, Graaf, A.A. de, Martin Adiels, Adiels, Martin,, Rullmann, Johan A.C., Roos, Baukje de, Kevin D. Hall, de Graaf Albert A., Freidig, Andreas P.,, Hall, Kevin D.,, Neema Jamshidi, Andreas P. Freidig, Adiels, M., Hall, Kevin D, Hall Kevin D., Baukje De Roos, Johan A C Rullmann, Rullmann, J.A.C., Ben van Ommen, Graaf, Albert A. de, Rullmann Johan A.C., Freidig, Andreas P, Andreas P Freidig, Jamshidi Neema, Jamsheedi, Neema, Heinemann, M., Heinemann Matthias, Roos, B. de, Johan A.C. Rullmann, Adiels Martin, De Roos, Baukje, Ommen, B. van, Albert A de Graaf, Jamshidi, Neema,, de Graaf, Albert A, Adiels, Martin, Hall, K.D., Freidig, Andreas P., Heinemann, Matthias,, Hall, Kevin D., Roos, Baukje de,, Rullmann, Johan A C, Heinemann, Matthias; id_orcid, Albert A. de Graaf, Freidig Andreas P., Rullmann, Johan AC, Graaf, Albert A. de,, Freidig, A.P., Heinemann, Matthias, Matthias Heinemann, Rullmann, Johan A.C.,, Jamshidi, Neema, Jamshidi, N., Kevin D Hall   +57 more
core   +1 more source

Mending a broken heart: current strategies and limitations of cell-based therapy

Stem Cell Research & Therapy, 2020
The versatility of pluripotent stem cells, attributable to their unlimited self-renewal capacity and plasticity, has sparked a considerable interest for potential application in regenerative medicine. Over the past decade, the concept of replenishing the
Lee Chuen Liew, Beatrice Xuan Ho, Boon-Seng Soh   +2 more
doaj   +1 more source

Measurable Residual Disease Monitoring During Treatment for Pediatric Acute Myeloid Leukemia in First Relapse

Pediatric Blood &Cancer, EarlyView.
ABSTRACT Background Survival after relapse in pediatric acute myeloid leukemia (AML) remains poor, highlighting the critical importance of identifying prognostic factors to guide optimal relapse management. Methods We investigated the prognostic impact of multiparameter flow cytometry (MFC) measurable residual disease (MRD) in 188 patients with first ...
Camilla Poulsen, Kristian Juul Sandahl, Lene Karlsson, Jonas Abrahamsson, Nira Arad‐Cohen, Daniel Cheuk, Barbara De Moerloose, Linda Fogelstrand, Jose Maria Fernandez Navarro, Bianca F. Goemans, Kirsi Jahnukainen, Gertjan Kaspers, Zhanna Kovalova, Monica Cheng Munthe‐Kaas, Ulrika Norén‐Nyström, Josefine Palle, Ramune Pasauliene, Cornelis Jan Pronk, Kadri Saks, Anne Tierens, Henrik Hasle, Kristian Løvvik Juul‐Dam   +21 more
wiley   +1 more source

Guidebook on molecular modeling in drug design / [PDF]

, 1996
Specially designed computer software is revolutionizing procedures for structured or rational drug design and discovery. The Guidebook on Molecular Modeling in Drug Design serves as a manual for the analysis ofmolecular structure and the correlation of ...
Cohen, N. Claude.
core  

Oxazolidine-2-thiones: A molecular modeling study [PDF]

, 2004
Two oxazolidine-2-thiones, thio-analogs of linezolid, were synthesized and their antibacterial properties evaluated. Unlike oxazolidinones, the thio-analogs did not inhibit the growth of Gram positive bacteria. A molecular modeling study has been carried
Neha Gandhi, Braj B. Lohray, Brijesh K. Srivastava, Gandhi, Neha, Lohray, Vidya B., Vidya B. Lohray, Lohray, Braj B., Srivastava, Brijesh K.   +7 more
core   +1 more source