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An accurate free energy estimator: based on MM/PBSA combined with interaction entropy for protein–ligand binding affinity

Nanoscale, 2020, Advance Article
DOI: 10.1039/C9NR10638C, Paper
Kaifang Huang, Song Luo, Yalong Cong, Susu Zhong, John Z. H. Zhang, Lili Duan
Modifying the energy term and considering the entropic contribution by IE method significantly improve the accuracy of predicted binding free energy in MM/PBSA method.
To cite this article before page numbers are assigned, use the DOI form of citation above.
The content of this RSS Feed (c) The Royal Society of Chemistry




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Encapsulation of Cu nanoparticles in nanovoids of plate-like silica sodalite through interlayer condensation of Cu2+ ion-exchanged layered silicate RUB-15

Dalton Trans., 2020, Advance Article
DOI: 10.1039/D0DT01083A, Paper
Masakazu Koike, Rika Sakai, Shimpei Enomoto, Takeshi Mino, Natsuhiko Sugimura, Takahiro Gotoh, Hiroaki Wada, Atsushi Shimojima, Kazuyuki Kuroda
Cu nanoparticles were encapsulated in the nanovoids of plate-like silica sodalite through the interlayer condensation of Cu2+ ion-exchanged layered silicate RUB-15.
To cite this article before page numbers are assigned, use the DOI form of citation above.
The content of this RSS Feed (c) The Royal Society of Chemistry




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Retail investors shouldn’t have invested in credit-risk funds, says Arvind Chari of Quantum Advisors

At the first sign of trouble, one should exit credit risk funds: Arvind Chari, Head - Fixed Income and Alternatives, Quantum Advisors




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Trading pick of the week: Sell Kansai Nerolac Paints

Investors with a medium-term perspective can sell the stock of Kansai Nerolac Paints at current levels.The stock had encountered a key resistance in t




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Ongoing first quarter is challenging, says SBI Card CEO Hardayal Prasad

Expect ‘business as usual’ scenario returning from October; current operations at 60 per cent of pre-Covid levels




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Covid-19 demands an adaptive response, says ICICI Pru Life Insurance

On digital drive to boost staff productivity; taking steps for their safety too




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Pakistan ‘fully complied’ with ICJ judgement on Kulbhushan Jadhav, says official

Pakistan said on Sunday that it has “fully complied” with the ICJ’s judgement in the Kulbhushan Jadhav case, days after India’s lead counsel asserted




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Musical messages to drive away Lockdown Blues

The web is alive with the sounds of music! As lockdown isolates us, lilting songs with positive lyrics are hitting a chord with many, forming powerful




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Time for textiles industry to reorient, stop seeking packages, says Smriti Irani

Union Minister Smriti Irani on Sunday asked the textile industry to reorient itself and not depend on financial packages from the government as its fi




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UK to switch ‘Stay At Home’ Covid-19 message to ‘Stay Alert’

The UK is set to modify its Stay At Home social distancing message to curb the spread of coronavirus to Stay Alert as British Prime Minister Boris Joh




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Playing it safe has paid off for NPS investors

Schemes investing in govt, corporate bonds outscored equity scheme




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How auto firms plan to woo customers, motivate sales staff post lockdown

As India eases some restrictions and many automobile dealerships restart operations after over a month of keeping their shutters down, what will be the primary target for brands?




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Barcelona’s Samuel Umtiti suffers calf injury in training




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TN: Private bus carrying stranded citizens of Kerala collides with water tanker on Karur-Salem highway, 25 injured

It is said to be the first road accident in Karur district after the lockdown was announced.




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Mission Sagar: India's helping hand across Indian Ocean during COVID-19 crisis

This deployment is in line with India's role as the first responder in the region.




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'5 bfs in one...it's my choice': Neha Dhupia celebrates second wedding anniversary with Angad Bedi

To celebrate their anniversary, the actors went live on their social media channels.




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Bois Locker Room case: Police says minor girl created fake account to suggest sexual assault on herself

A fictitious name 'Siddharth' was used by the girl to create a fake profile and the conversation was to meant to test the 'values and character' of the boy.




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The COVIDSafe app – What we know and questions that remain unanswered - Coronavirus (COVID-19) - Australia - Mondaq News Alerts

  1. The COVIDSafe app – What we know and questions that remain unanswered - Coronavirus (COVID-19) - Australia  Mondaq News Alerts
  2. Readers respond to the COVIDSafe app's launch  Sydney Morning Herald
  3. COVIDSafe app downloads shoot past five million  Sky News Australia
  4. UK contact tracing app source code shared as researchers seek to solve mystery  9to5Mac
  5. Lack of honesty on virus app is a problem  9News
  6. View Full coverage on Google News





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Disappeared by Francisco X. Stork

Sara is a journalist who wholeheartedly throws herself into her work as a journalist for a newspaper in Juarez. Mexico however is a country where journalists sometimes do their work under threats to themselves and their families and going to the police is not always a good idea. Sara soon finds that if she wants to pursue this particular story she could be putting the lives of herself, her younger brother Emiiano and their mother in danger.

Emiliano is a soccer star at his high school and in addition to this he is also a member of a school group called Jiparis who do hikes through the desert in order to build character in the young men, some of whom were involved in unsavory activities before joining the group.

One part of the Jipari pledge goes , "I will be honest with myself and others". This is easier said than done especially in a city like Juarez. One of the characters tells Emiliano, "everything is a spiderweb" and the speed with which he is enveloped in said web is astounding. Emiliano tells himself that he wants to help his family and friends out but are those his real reasons? Like any teen he wants to be seen as cool and there is also the small matter of a girl he wants to impress.

The first part of the book is told from each character's viewpoint and the author weaves the tale together in a very credible way showing how circumstances

Make no mistake, Disappeared is not a peaches and cream, hunky dory teen novel. It is a gritty and very realistic novel with a ripped from the headlines quality to it. The city of Juarez and the violence there doesn't dominate the headlines as it did a few years ago, but Stork's novel is a timely reminder that evil still exists and that it takes many people working in tandem to defeat it.



  • Everyone's Got Issues

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The Disappearances by Emily Bain Murphy


From my recent Locus review of The Disappearances, a WW2 era fantasy that includes a curse, a literary mystery, some grave robbing, and the disappearance of the stars:

Initially, Emily Bain Murphy’sThe Disappearances reads as straightforward historical fiction. It’s 1942 and teenage Aila is facing the stark reality of life in the wake of her mother’s recent death. To make matters worse, her father is off to the war in the Pacific and she and her younger brother Miles must go live with their mother’s oldest friend in Sterling, Connecticut, where she grew up. Aila knows very little about her mother’s childhood but is resigned to doing her best to fit in. Readers will feel immediate empathy for these children and their predicament but likely expect little in the way of fantasy from reading the first few pages. Then Aila and Miles arrive in their new home with the Clifton family and, in spite of the pouring rain that greets them, Aila is stunned to notice that Matilda Clifton remains completely dry. Clearly, everything in the seemingly dull town of Sterling is not as it appears. 

Highly recommended for those who like to see how things used to be done (before cell phones which would have made a lot of the clue-following in this book a lot easier!) and as a reminder that sometimes nothing beats hitting the library. (Cue relevant Doctor Who quote here!)




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Saying Goodbye to Guys Lit Wire

This is the final post for Guys Lit Wire.


We started this site many years ago (I'm honestly afraid to even see how many years), after an online discussion about how teenage boys seemed less willing to browse for books they wanted than teenage girls. (The argument being that if the guys had more easy to find recommendations, they would read more but when they didn't know how to find books on subjects they liked, they just gave up looking.)

So that was what we set out to do (as evident from the site's name): recommend some books that we thought teenage boys would like. This often meant books from a boy POV, or graphic novels that might lure in reluctant readers, or nonfiction that might appeal to specific audiences that don't read a lot but like certain subjects. What all of these books had in common is that one of our many contributors thought it was a good book and deserved some more attention from readers who would probably love it if they knew about it. We certainly hope that all kinds of kids and teens (boys and girls) have picked up a book because of something we posted here.

Beyond that, we also supported several schools and organizations devoted to getting books into the hands of kids who needed them via underfunded library shelves. Cumulatively, over 10,000 books have been bought & shipped due to our efforts. Most recently, for Ballou Sr High School in Washington DC, over 200 books were bought off their wish list by our readers and sent their way at the end of 2017. 

Support for the Annual Book Fair for Ballou will continue, as I take those posts over to my site, Chasing Ray, and continue to host the book fair there. Please follow me on twitter, (@chasingray), for updates on that effort.

Personally, Sarah Stevenson & I would like to thank everyone who was with us on this ride. We are both writing much more heavily now on our own projects and bring an end to GLW with a heavy but grateful heart. Simply put, it is time. All of us at the site are confident however that we accomplished far more here than we ever thought possible. The archives will remain live and there are a ton of great book recommendations to peruse; be sure to check them out. 


Sincerely,

Colleen Mondor & Sarah Stevenson
January, 2018



  • GLW General Information


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Will Kansas City's challenging regular season schedule affect its chances to repeat as Super Bowl champions?

The Kansas City Chiefs will look to repeat as Super Bowl champions in 2020, but their regular season schedule won't offer any concessions.




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NHL execs express mixed feelings over proposal to hold draft early

There are mixed feelings among executives about the idea, ranging from frustration to begrudging acceptance.




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Stars CLASSICS Highlights | 1999 Stanley Cup Final Games 2 and 3 vs. Sabres

Stars CLASSICS Highlights | 1999 Stanley Cup Final Games 2 and 3 vs. Sabres





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It's Much More Versatile




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It's Now Safe to Use the Toilet

Submitter TurboJens explains this fix: The fill valve split in half and the floater does not cut off the water supply. The towel keeps the water inside and the wrench keeps it from overflowing.




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You Said You Wanted Something to Dry Your Hands On

What's the problem?






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Sand Art WIN

Check out more from England's Tony Plant in the via link below!






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NO SAND ANYWHERE IN SIGHT




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THOSE ARE JUST SAD





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McSally Says Next COVID Bill Shouldn't Be 'Cash Cow' For Cities As Arizona Suffers

As Arizona's cities are laying off and furloughing workers because of cratering revenues as a result of the coronavirus pandemic, their Republican senator is telling them to toughen up. She isn't going to help them by voting for any financial support for state local government, citing that "blue state bailout" bullshit.

read more




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RawHole: Lucca Santanna and Cesar Dotadao

Dark, handsome bearded and tattooed, Latin Lucca Santanna can’t get enough of brown Brazilian top Cesar Dotadao. Starting at his nips and chest Lucca works down till he’s faced with cramming Cesar’s big fat 9-incher down his throat. He gags a little but gets it good and wet. See more at RawHole.

The post RawHole: Lucca Santanna and Cesar Dotadao appeared first on QueerClick.







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EPA Proposes Municipal Stormwater General Permit Modifications for Massachusetts Communities

BOSTON - The U.S. Environmental Protection Agency (EPA) is proposing targeted modifications to the 2016 Small Municipal Separate Storm Sewer System (MS4) general permit for Massachusetts communities.




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Omaha/Council Bluffs Area Gas Stations, Owned by Mega Saver and Tobacco and Phones 4 Less, Agree to Upgrade Spill Monitoring and Alarm Systems

Environmental News FOR IMMEDIATE RELEASE




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Three Kansas City Organizations Earn Regional Awards for Making Significant Progress in Reducing Food Waste in America

Environmental News FOR IMMEDIATE RELEASE




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American Samoa Receives $300,000 from EPA for Revitalization of Contaminated Properties

PAGO PAGO, American Samoa - Today, the U.S. Environmental Protection Agency (EPA) announced that American Samoa was selected to receive a $300,000 grant to assess and clean up contaminated properties under the agency’s Brownfields Program.




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Mayor eficiencia en el cruce de la frontera de Nogales mejora la calidad del aire y la salud pública

NOGALES, AZ – Hoy, la Agencia de Protección Ambiental de EE. UU.




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El Programa Ambiental México-EE. UU. Frontera 2020 anuncia financiamiento disponible para proyectos de salud pública y ambiental

SAN DIEGO – Hoy, la Agencia de Protección Ambiental de Estados Unidos (EPA, por sus siglas en inglés), en coordinación con el Banco de Desarrollo de América del Norte (BDAN), emitió una Solicitud de Propuestas (RFP, por sus siglas en inglés) a través del Programa Frontera 2020.




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EPA Awards More Than $1 Million to Clean Up School Buses in Arkansas, Louisiana, Oklahoma and Texas

DALLAS – (April 24, 2020) In conjunction with the 50th anniversary of Earth Day, the U.S. Environmental Protection Agency (EPA) awarded $11.5 million to replace 580 older diesel school buses.