We present a formalism for investigating transition pathways and transition probabilities for rare events in biomolecular systems. The formalism is based on combining Transition Path Theory with the results of nonequilibrium work relations, and shows that the equilibrium and nonequilibrium transition rates are in fact related. Aside from its fundamental importance, this allows for the calculation of relative equilibrium reaction rates with driven nonequilibrium simulations such as Steered Molecular Dynamics. The workings of the formalism are illustrated with a few typical numerical examples.
Download full-text PDF |
Source |
|---|---|
| http://dx.doi.org/10.1063/1.4861056 | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
Unraveling Cardiovascular Risks and Benefits of COVID-19 Vaccines: A Systematic Review.
Cardiovasc Toxicol
January 2025
RAK College of Medical Sciences, RAK Medical and Health Sciences University, Ras Al Khaimah, United Arab Emirates.
The rapid development and deployment of mRNA and non-mRNA COVID-19 vaccines have played a pivotal role in mitigating the global pandemic. Despite their success in reducing severe disease outcomes, emerging concerns about cardiovascular complications have raised questions regarding their safety. This systematic review critically evaluates the evidence on the cardiovascular effects of COVID-19 vaccines, assessing both their protective and adverse impacts, while considering the challenges posed by the limited availability of randomized controlled trial (RCT) data on these rare adverse events.
View Article and Find Full Text PDF[Infrequent complications in a single patient: esophageal perforation, cervical vascular injury, and soft tissue infection caused by a spine].
Rev Gastroenterol Peru
January 2025
Centro de Gastroenterología, Bogotá, Colombia; Gastroenterología y endoscopia digestiva, Universidad Nacional de Colombia, Bogotá, Colombia; Gastroenterología, Hospital Universitario Nacional de Colombia, Bogotá, Colombia.
In this article, we present an exceptionally rare and challenging clinical case. It concerns a 65-year-old woman who, while eating, accidentally ingested a thorn. This foreign body, after being swallowed, migrated from the proximal esophagus, until it penetrated the left internal jugular vein.
View Article and Find Full Text PDFDiet and trophic structure of fishes in the Barents Sea: between empty and full stomachs - large individual variability follows a common pattern.
J Fish Biol
January 2025
Polar branch of the Russian Federal Research Institute of Fisheries and Oceanography ("PINRO" named after N.M. Knipovich), Murmansk, Russia.
More than 27,000 stomachs from 70 species of fish were collected from the Barents Sea in 2015. Quantitative stomach content expressed relative to the body weight of the predator fish (g g as %) varied by four to five orders of magnitude for six species with the largest sample size (Atlantic cod Gadus morhua, haddock Melanogrammus aeglefinus, Greenland halibut Reinhardtius hippoglossoides, long rough dab Hippoglossoides platessoides, polar cod Boreogadus saida, and Atlantic capelin Mallotus villosus). The quantitative stomach contents of individual fish followed a common and strict statistical relationship for predator species or groups of species (by families), and for prey categories across predator species.
View Article and Find Full Text PDFAcute zonal occult outer retinopathy (AZOOR) complex associated with torpedo retinopathy following COVID-19 recombinant mRNA vaccination: a case report of a rare clinical presentation.
BMC Ophthalmol
January 2025
Department of Ophthalmology, Linkou main branch, Chang Gung Memorial Hospital, Taoyuan, Taiwan.
Background: While vaccination remains crucial in mitigating the impact of the COVID-19 pandemic, several ocular adverse events has been reported, including Acute Zonal Occult Outer Retinopathy (AZOOR) complex.
Case Presentation: A 31-year-old female presented declined best corrected visual acuity (BCVA) and flashes in both eyes three days following second recombinant mRNA COVID-19 vaccine (Moderna). Fundus autofluorescence (FAF) illustrated speckled hyper-AF lesions surrounding right eye torpedo maculopathy site and hyper-AF lesions in the left macula.
Recurrent endocarditis on restrictive perimembranous septal defect causing aortic insufficiency.
Indian J Thorac Cardiovasc Surg
February 2025
Department of Cardiovascular Surgery, Abderrahmen Mami Pneumology and Phthisiology Hospital, Ariana, Tunisia.
Infective endocarditis (IE) in children is a rare entity which presents a high rate of events during follow-up. Congenital heart disease, i particular ventricular septal defect (VSD), is the main predisposing condition to IE at those ages. The long-term risk of IE is of concern and whose follow-up can be complicated by a relapse of IE and reintervention.
View Article and Find Full Text PDFWant AI Summaries of new PubMed Abstracts delivered to your In-box?
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!