Development of multi epitope subunit vaccines against emerging carp viruses Cyprinid herpesvirus 1 and 3 using immunoinformatics approach

NA Rani, TB Robin, AA Prome, N Ahmed, AT Moin… - Scientific reports, 2024 - nature.com
Cyprinid herpesvirus is a causative agent of a destructive disease in common and koi carp
(Cyprinus carpio), which leads to substantial global financial losses in aquaculture …

Calculations of electrostatic interactions in biological systems and in solutions

A Warshel, ST Russell - Quarterly reviews of biophysics, 1984 - cambridge.org
Correlating the structure and action of biological molecules requires knowledge of the
corresponding relation between structure and energy. Probably the most important factors in …

Precise Engineering of a Se/Te Nanochaperone for Reinvigorating Cancer Radio‐Immunotherapy

Y Chang, J Huang, S Shi, L Xu, H Lin… - Advanced …, 2023 - Wiley Online Library
Facilely synthesized nanoradiosensitizers with well‐controlled structure and
multifunctionality are greatly desired to address the challenges of cancer radiotherapy. In …

Structural basis of cis-and trans-combretastatin binding to tubulin

R Gaspari, AE Prota, K Bargsten, A Cavalli… - Chem, 2017 - cell.com
Summary Combretastatin A4 (CA-4) derivatives are microtubule-destabilizing agents, some
of which are in advanced clinical trials for cancer therapy. The active cis conformation of CA …

Monte Carlo simulation of differences in free energies of hydration

WL Jorgensen, C Ravimohan - The Journal of chemical physics, 1985 - pubs.aip.org
Perturbation theory has been applied to calculate the relative free energies of hydration of
methanol and ethane in dilute soluton. It is demonstrated that only two or three Monte Carlo …

Antifungal plant flavonoids identified in silico with potential to control rice blast disease caused by Magnaporthe oryzae

AT Moin, TB Robin, RB Patil, NA Rani, AA Prome… - Plos one, 2024 - journals.plos.org
Rice blast disease, caused by the fungus Magnaporthe oryzae, poses a severe threat to rice
production, particularly in Asia where rice is a staple food. Concerns over fungicide …

Solubility of lithium salts formed on the lithium-ion battery negative electrode surface in organic solvents

K Tasaki, A Goldberg, JJ Lian, M Walker… - Journal of The …, 2009 - iopscience.iop.org
The solubility of lithium salts in dimethyl carbonate (DMC) found in solid electrolyte interface
(SEI) films was determined. The salt–DMC solutions evaporated, and the salts were …

[КНИГА][B] Applications of the Monte Carlo method in statistical physics

A Baumgärtner, K Binder, JP Hansen, MH Kalos… - 2013 - books.google.com
Applications of the Monte Carlo method in statistical physics Page 1 Applications of the
Monte-Carlo Method in Statistical Physics KURT BINDER XXXVI Springer Page 2 Topics in …

Molecular‐dynamics simulation of aqueous mixtures: methanol, acetone, and ammonia

M Ferrario, M Haughney, IR McDonald… - The Journal of chemical …, 1990 - pubs.aip.org
Effective pair‐potential models, parametrized to the properties of the pure liquids, have been
used in molecular‐dynamics simulations of aqueous (binary) mixtures containing methanol …

Fluctuation, relaxations, and hydration in liquid water. Hydrogen-bond rearrangement dynamics

I Ohmine, H Tanaka - Chemical reviews, 1993 - ACS Publications
Water is the most ubiquitous substance on Earth, and it is known to have anomalous
macroscopic and microscopic properties. 1'2 A decrease of viscosity with pressure, a large …