Assessing Genetic Algorithm-Based Docking Protocols for Prediction of Heparin Oligosaccharide Binding Geometries onto Proteins.

Although molecular docking has evolved dramatically over the years, its application to glycosaminoglycans (GAGs) has remained challenging because of their intrinsic flexibility, highly anionic character and rather ill-defined site of binding on proteins. GAGs have been treated as either fully "rigid" or fully "flexible" in molecular docking. We reasoned that an intermediate semi-rigid docking (SRD) protocol may be better for the recapitulation of native heparin/heparan sulfate (Hp/HS) topologies.

3--Sulfation induces sequence-specific compact topologies in heparan sulfate that encode a dynamic sulfation code.

Heparan sulfate (HS) is arguably the most diverse linear biopolymer that is known to modulate hundreds of proteins. Whereas the configurational and conformational diversity of HS is well established in terms of varying sulfation patterns and iduronic acid (IdoA) puckers, a linear helical topology resembling a cylindrical rod is the only topology thought to be occupied by the biopolymer. We reasoned that 3--sulfation, a rare modification in natural HS, may induce novel topologies that contribute to selective recognition of proteins.

Early bisphosphonate therapy post proximal femoral fracture fixation does not impact fracture healing: a systematic review and meta-analysis.

Background: There is conjecture on the optimal timing to administer bisphosphonate therapy following operative fixation of low-trauma hip fractures. Factors include recommendations for early opportunistic commencement of osteoporosis treatment, and clinician concern regarding the effect of bisphosphonates on fracture healing. We performed a systematic review and meta-analysis to determine if early administration of bisphosphonate therapy within the first month post-operatively following proximal femur fracture fixation is associated with delay in fracture healing or rates of delayed or non-union.

Molecular dynamics simulations to understand glycosaminoglycan interactions in the free- and protein-bound states.

Natural glycosaminoglycans (GAGs) are informational molecules with astounding structural diversity. Understanding the behavior of GAGs in the free and protein-bound states is critical for harnessing this diversity. Molecular dynamics (MD) offers atomistic insight into principles governing GAG recognition by proteins.

The impact of direct oral anti-coagulants on hip fracture management : a systematic review and meta-analysis.

Hip fractures are a common presentation in the elderly, a group who commonly have co-morbidities requiring the use of anticoagulants. Recently, direct oral anti-coagulants (DOAC) have become a popular method of anticoagulating patients. The primary aim of this review is to determine if the use of DOAC in elderly patients with hip fractures results in delays to theatre and/or an increased mortality risk.

Impact of digital technologies for communicating messages on weight loss maintenance: a systematic literature review.

Background: Research into the use of digital technology for weight loss maintenance (intentionally losing at least 10% of initial body weight and actively maintaining it) is limited. The aim of this article was to systematically review randomized controlled trials (RCTs) reporting on the use of digital technologies for communicating on weight loss maintenance to determine its' effectiveness, and identify gaps and areas for further research.

Methods: A systematic literature review was conducted by searching electronic databases to locate publications dated between 2006 and February 2018.

A SMART design to determine the optimal treatment of chronic pain among military personnel.

Chronic pain is a leading cause of disability among active duty service members in the U.S. armed forces.

Military physician recruitment and retention: a survey of students at the Uniformed Services University of the Health Sciences.

Recent strategies employed in response to military physician recruitment shortfalls have consisted of increasing financial incentives for students in the Health Professions Scholarship Program (HPSP) while offering no increased incentive for attendance at the Uniformed Services University of the Health Sciences (USUHS). To gauge the impact of these incentive increases on the decision of medical students to attend USUHS, a prospective e-mail survey of current USUHS medical students was conducted. The survey was distributed to 674 USUHS medical students from all four class years, of which 41% responded.