Zobrazeno 1 - 10
of 559
pro vyhledávání: '"A. Nisanth"'
Autor:
Nisanth K. M. Nambison, Abhishek Dhar Dwivedi, Sanjeev Kumar, Garima Goel, Pankaj Prasad, Gyanendra Singh, S. Rajasubramaniam, Ravindra Kumar
Publikováno v:
Journal of Applied Sciences and Clinical Practice, Vol 5, Iss 3, Pp 138-144 (2024)
Background: Population-based research (PBR) plays a critical role in generating externally valid evidence and engaging local communities in health interventions. However, there is a lack of examples in the field of homeopathy. This study describes th
Externí odkaz:
https://doaj.org/article/b40da5547f5b4f4aa2476d2a547b7c32
Ab initio molecular dynamics (AIMD) based on density functional theory (DFT) has become a workhorse for studying the structure, dynamics, and reactions in condensed matter systems. Currently, AIMD simulations are primarily carried out at the level of
Externí odkaz:
http://arxiv.org/abs/2309.00651
Autor:
Shantanu Sen, Rafat Ali, Akanksha Onkar, Shivani Verma, Quazi Taushif Ahmad, Pratibha Bhadauriya, Pradip Sinha, Nisanth N. Nair, Subramaniam Ganesh, Sandeep Verma
Publikováno v:
Communications Chemistry, Vol 7, Iss 1, Pp 1-10 (2024)
Abstract Globally, millions of diabetic patients require daily life-saving insulin injections. Insulin heat-lability and fibrillation pose significant challenges, especially in parts of the world without ready access to uninterrupted refrigeration. H
Externí odkaz:
https://doaj.org/article/55053c02b4db4ee2aded6b22f95af7c9
Autor:
Nisanth Puliyath, Venugopalan AV
Publikováno v:
The Aging Male, Vol 27, Iss 1 (2024)
Externí odkaz:
https://doaj.org/article/73660e8169e6405ab1ea218f74b384cd
Autor:
Verma, Shivani, Nair, Nisanth N.
Alchemical free energy calculations are widely used in predicting pKa, and binding free energy calculations in biomolecular systems. These calculations are carried out using either Free Energy Perturbation (FEP) or Thermodynamic Integration (TI). Num
Externí odkaz:
http://arxiv.org/abs/2211.13637
Kohn-Sham density functional theory and plane wave basis set based ab initio molecular dynamics (AIMD) simulation is a powerful tool for studying complex reactions in solutions, such as electron transfer (ET) reactions involving Fe$^{2+}$/Fe$^{3+}$ i
Externí odkaz:
http://arxiv.org/abs/2209.01437
Publikováno v:
e-Prime: Advances in Electrical Engineering, Electronics and Energy, Vol 9, Iss , Pp 100724- (2024)
Vibration-based energy-harvesting (VEH) technology is a viable alternative power source that addresses the issue of battery capacity constraints in portable electronic devices. A novel design strategy for developing a piezoelectric vibrational energy
Externí odkaz:
https://doaj.org/article/f02f0709a1bc4233a8141bf0824c346e
Density functionals at the level of the Generalized Gradient Approximation (GGA) and a plane-wave basis set are widely used today to perform ab initio molecular dynamics (AIMD) simulations. Going up in the ladder of accuracy of density functionals fr
Externí odkaz:
http://arxiv.org/abs/2110.07670
Autor:
Puliyath, Nisanth1 (AUTHOR) whitestethescope@gmail.com, AV, Venugopalan1 (AUTHOR)
Publikováno v:
Aging Male. Dec2024, Vol. 27 Issue 1, p1-3. 3p.
Methods that combine collective variable (CV) based enhanced sampling and global tempering approaches are used in speeding-up the conformational sampling and free energy calculation of large and soft systems with a plethora of energy minima. In this
Externí odkaz:
http://arxiv.org/abs/2108.13641