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Rational structure-based drug design (SBDD) relies on the availability of a large number of co-crystal structures to map the ligand-binding pocket of the target protein and use this information for lead-compound optimization via an iterative process. While SBDD has proven successful for many drug-discovery projects, its application to G protein-coupled receptors (GPCRs) has been limited owing to extreme difficulties with their crystallization. Here, a method is presented for the rapid determination of multiple co-crystal structures for a target GPCR in complex with various ligands, taking advantage of the serial femtosecond crystallography approach, which obviates the need for large crystals and requires only submilligram quantities of purified protein. The method was applied to the human β2-adrenergic receptor, resulting in eight room-temperature co-crystal structures with six different ligands, including previously unreported structures with carvedilol and propranolol. The generality of the proposed method was tested with three other receptors. This approach has the potential to enable SBDD for GPCRs and other difficult-to-crystallize membrane proteins.

Chris Crowe, keeper of the National Zoo’s 15 white-naped cranes, is well acquainted with the strong attachments these graceful Asian birds form with their mates.

The post With no credit to Cupid, white-naped crane couples remain faithful for life appeared first on Smithsonian Insider.

Taking your sweetie out for romantic date can be challenging, stressful and expensive. But it definitely doesn’t have to be. Be a bit creative and have some f

We're all looking for happiness, which is why these late-in-life courtships are so inspiring.

After exhausting other price-sensible real estate options, a watercraft-loving Portland family settles on a 43-foot boat found on Craigslist for $14,000.

Frozen remains found in Swiss glacier of couple who disappeared 75 years ago while hiking in the Alps.

Things were hunky-dory for Ontario homeowners Loretta and Kevin Yates until their ceilings started to crack and ooze honey. Time to call an exorcist? Or an apia

Chris Burley and Ei Ei Khin have an ambitious goal: Grow 1 million wildflowers to help threatened honeybee populations.

For almost 40 years, Art and Nan Kellam lived off-grid on a Maine island, eschewing modern technology, but not each other.

The UP North Loop offers a unique but daunting tour through an array of wild landscapes.

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Last year, they successfully hiked the entire Appalachian Trail when their daughter was just a baby.

Former Hell's Angel Tim Medvetz plays the role of motivational 'bus driver' to a group of unlikely adventurers.

A couple disappeared into mountain silence for 18 months as part of the first substantial study on the physical and emotional impacts of meditation.

A new study from the University of Tennessee looks at the multitude of ways and topics married couples argue about, with some not-so-surprising results.

John and Charlotte Henderson are celebrating their 80th wedding anniversary this month at a nursing home in Texas.

Galgopod creates a lifeline for some of the world's most tragic dogs.

Aditya and Poonam Singh are turning barren farmland in Rajasthan, India, into an unofficial tiger reserve.

Big, efficient cities. High-tech mega farms. And a new generation of nuclear power. That's how to save nature, says a new manifesto.

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New York City's swinger scene is the largest in the country, with a whopping 18,202 active members and 4,875 couples. Los Angeles and Houston are close seconds and thirds with 2,577 and 2,101 couple members respectively.

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Jennifer Petriglieri, an assistant professor of organizational behavior at INSEAD, asks company leaders to consider whether they really need to relocate their high-potential employees or make them travel so much. She says moving around is particularly hard on dual-career couples. And if workers can't set boundaries around mobility and flexibility, she argues, firms lose out on talent. Petriglieri is the author of the HBR article “Talent Management and the Dual-Career Couple.”

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Autocar first drive review: Porsche Cayenne Coupe

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"After the moratorium, it was expected that there would be outflows."

A former Dublin, Ohio, couple has been charged with crimes related to stealing exosome-related trade secrets concerning the research, identification and treatment of a range of pediatric medical conditions announced Assistant Attorney General John C. Demers of National Security, U.S. Attorney Benjamin C. Glassman for the Southern District of Ohio, Assistant Director John Brown of the Counterintelligence division and FBI Special Agent in Charge Todd Wickerham of the Cincinnati division.

Following an upset victory in the Grade 1 Breeders' Cup Dirt Mile, Spun to Run is likely for the Grade 1, $750,000 Cigar Mile on December 7 at Aqueduct Racetrack. Trained by Juan Carlos Guererro and owned by Robert Donaldson, the sophomore son of Hard Spun set the pace in the Dirt Mile at Santa […]

The post Spun To Run ‘Recouped Quickly’ After Breeders’ Cup Win, Will Point To Cigar Mile appeared first on Horse Racing News | Paulick Report.

The Newtons have created ‘Britain’s best garden’ and grown a spring spectacular bursting with color in Walsall after spending lockdown tending their oasis.

The post Britain’s Best Gardening Couple Outdo Themselves With Spring Spectacular After Spending Lockdown Tending Their Oasis appeared first on Good News Network.

Effectively addressing wildfire risk to communities on large multi-owner landscapes requires an understanding of the biophysical factors that influence risk, such as fuel loads, topography, and weather, and social factors such as the capacity and willingness for communities to engage in fire-mitigation activities.

Scientists have had little information about how prescribed fire and cattle grazing—common practices in many Western ponderosa pine forests—affect plant abundance and reproduction in the forest understory. Pacific Northwest Research Station scientists began to explore how these practices affect vegetation in a five-year study of postfire vegetation in eastern Oregon ponderosa pine forests where cattle have been routinely pastured from late June or early July through early to mid August. For this area of eastern Oregon, they found that excluding cattle grazing during peak growing season increased native plant cover and grass flowering capability in ungrazed areas compared to grazed areas. Because vegetation was measured prior to releasing cattle on the land, the study's results tend to reflect lasting grazing impacts rather than simple consumption.

In this work we consider the initial-value problem associated with a coupled system of generalized Korteweg-de Vries equations. We present a relationship between the best constant for a Gagliardo-Nirenberg type inequality and a criterion for the existence of global solutions in the energy space. We prove that such a constant is directly related to the existence problem of solitary-wave solutions with minimal mass, the so called ground state solutions. To guarantee the existence of ground states we use a variational method.

This paper deals with an optimal control problem associated to the Kuramoto model describing the dynamical behavior of a network of coupled oscillators. Our aim is to design a suitable control function allowing us to steer the system to a synchronized configuration in which all the oscillators are aligned on the same phase. This control is computed via the minimization of a given cost functional associated with the dynamics considered. For this minimization, we propose a novel approach based on the combination of a standard Gradient Descent (GD) methodology with the recently-developed Random Batch Method (RBM) for the efficient numerical approximation of collective dynamics. Our simulations show that the employment of RBM improves the performances of the GD algorithm, reducing the computational complexity of the minimization process and allowing for a more efficient control calculation.

Miller and Sheffield introduced a notion of an imaginary surface as an equivalence class of pairs of simply connected proper subdomains of $mathbb{C}$ and Gaussian free fields (GFFs) on them under conformal equivalence. They considered the situation in which the conformal transformations are given by a chordal Schramm--Loewner evolution (SLE). In the present paper, we construct processes of GFF on $mathbb{H}$ (the upper half-plane) and $mathbb{O}$ (the first orthant of $mathbb{C}$) by coupling zero-boundary GFFs on these domains with stochastic log-gases defined on parts of boundaries of the domains, $mathbb{R}$ and $mathbb{R}_+$, called the Dyson model and the Bru--Wishart process, respectively, using multiple SLEs evolving in time. We prove that the obtained processes of GFF are stationary. The stationarity defines an equivalence relation between GFFs, and the pairs of time-evolutionary domains and stationary processes of GFF will be regarded as generalizations of the imaginary surfaces studied by Miller and Sheffield.