Results 131 to 140 of about 1,314,905 (219)

Free-Energy Landscapes of HBV Hexamer Closure Reveal Key Structural Features of the Transition. [PDF]

J Chem Theory Comput
Fan Z, Pavlova A, Lynch DL, Chipot C, Gumbart JC.   +4 more
europepmc   +1 more source

Triangular Index Ratio as an Alternative Method to the Alpha Angle for Defining the Presence of Cam Morphology: A Prospective Cohort Study

Arthritis Care &Research, EarlyView.
Objective Cam morphology, which is a significant risk factor for hip osteoarthritis, is commonly quantified by the alpha angle (AA). This study aims to explore the potential of the triangular index ratio (TIR) to quantify cam morphology on anteroposterior radiographs by assessing the association between TIR‐defined cam morphology and the development of
Jinchi Tang, Fleur Boel, Michiel M. A. van Buuren, Noortje S. Riedstra, Myrthe A. van den Berg, Jos Runhaar, Sita Bierma‐Zeinstra, Rintje Agricola   +7 more
wiley   +1 more source

BindFlow: A Free, User-Friendly Pipeline for Absolute Binding Free Energy Calculations Using Free Energy Perturbation or MM(PB/GB)SA. [PDF]

J Chem Theory Comput
León AM, Andersen L, Hub JS.
europepmc   +1 more source

Artificial Intelligence in Systemic Sclerosis: Clinical Applications, Challenges, and Future Directions

Arthritis Care &Research, EarlyView.
Systemic sclerosis (SSc) is a rare autoimmune disease defined by immune dysregulation, vasculopathy, and progressive fibrosis of the skin and internal organs. Despite advances in care, major complications such as interstitial lung disease (ILD) and myocardial involvement remain the leading causes of morbidity and mortality.
Cristiana Sieiro Santos, José Miguel Sequí‐Sabater, Diego Benavent   +2 more
wiley   +1 more source

Free energy perturbations in enzyme kinetic models reveal cryptic epistasis. [PDF]

PLoS Comput Biol
Buda K, Tokuriki N.
europepmc   +1 more source

Perceived Impacts and Predictors of Cannabis Products Used by Patients with Rheumatologic Conditions in Alberta, Canada: A Multivariable Analysis of Cross‐Sectional Survey Data

Arthritis Care &Research, EarlyView.
Objective This study aimed to characterize cannabis product choices (cannabinoid content and formulation) among patients with rheumatologic conditions and their associations with patient factors, patient‐reported perceived side effects, and positive impacts.
Susan Zhang, Samuel A.J. Lowe, Frank Sun, Allyson Jones, Tarek Turk, Joanne Olson, Pauline Paul, Shelby Yamamoto, Linda Kolewaski, Elaine Yacyshyn, Cheryl A. Sadowski   +10 more
wiley   +1 more source

On Free Energy Calculations in Drug Discovery. [PDF]

Acc Chem Res
Ghidini A, Serra E, Cavalli A.
europepmc   +1 more source

A Return to Normality: A Descriptive Qualitative Interview Study Exploring the Patient Experience of Gout Flare Resolution

Arthritis Care &Research, EarlyView.
Objective Although the definition of a gout flare is well established, the state of gout flare resolution has not yet been defined. This study aimed to explore patients’ experiences and perceptions of gout flare resolution. Methods Semistructured interviews were conducted with 24 people with gout, guided by open‐ended questions exploring their ...
Sarah Stewart, Anne Horne, Angelo Gaffo, Lisa K. Stamp, N. Lawrence Edwards, Nicola Dalbeth   +5 more
wiley   +1 more source

Free energy perturbation-derived identification of natural compounds targeting Mycobacterium tuberculosis thymidylate kinase. [PDF]

Sci Rep
Chikhale RV, Islam MA, Suryawanshi VS, Alsarra IA.   +3 more
europepmc   +1 more source

Longitudinal Changes in Adiposity After a Youth Sport‐Related Knee Injury: Informing Posttraumatic Osteoarthritis Prevention

Arthritis Care &Research, EarlyView.
Objective Youth who experience a sport‐related knee injury have elevated odds of becoming overweight or developing obesity in 3 to 10 years, compounding their risk for posttraumatic osteoarthritis (PTOA). To inform prevention strategies, this study compared patterns of adiposity change between youth with a sport‐related knee injury and uninjured youth ...
Justin M. Losciale, Nuria E. J. Jansen, Christina Y. Le, Leo Lu, Hui Xie, Marienke van Middelkoop, Jackie L. Whittaker   +6 more
wiley   +1 more source