ISQBP

191 posts

ISQBP

ISQBP

@isqbp

ISQBP is a society for chemists, pharmacologists, and biologists to discuss and extend the impact of computational methodologies in life sciences.

Katılım Ocak 2021
126 Takip Edilen474 Takipçiler
ISQBP retweetledi
ACS COMP
ACS COMP@ACSCOMP·
We are now accepting applications for the Spring 2026 ACS Meeting in Atlanta, GA! Learn about our awards for grad students, postdocs, junior faculty, and GPU-based posters here acs-comp.org/awards Applications are due September 15
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Jean-Philip Piquemal
Jean-Philip Piquemal@jppiquem·
#compchem In the Big Data era, a change of paradigm in the use of molecular dynamics is required. Trajectories should be stored under FAIR (findable, accessible, interoperable and reusable) requirements to favor its reuse by the community under an open science paradigm. Happy to be part of this community letter, just out @naturemethods. Efforts led by Modesto Orozco. nature.com/articles/s4159…
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William L. Jorgensen
William L. Jorgensen@JorgensenWL·
Some #FEP history. I presented our ethane to methanol calculations at an NSF workshop in Spring 1985 that was attended by Martin Karplus and stat mech folks. Here is a subsequent letter from him and the first page of the draft of JCP 1985, 83, 3050. I sent him the preprint.
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Zoe Cournia
Zoe Cournia@zoecournia·
Congratulations to David Baker of @UW, @demishassabis and John Jumper of @GoogleDeepMind for winning the 2024 Nobel Prize in Chemistry. Fantastic to see that the power of computation in Chemistry is being broadly recognized.
The Nobel Prize@NobelPrize

The 2024 #NobelPrize laureates in chemistry Demis Hassabis and John Jumper have successfully utilised artificial intelligence to predict the structure of almost all known proteins. In 2020, Hassabis and Jumper presented an AI model called AlphaFold2. With its help, they have been able to predict the structure of virtually all the 200 million proteins that researchers have identified. Since their breakthrough, AlphaFold2 has been used by more than two million people from 190 countries. Among a myriad of scientific applications, researchers can now better understand antibiotic resistance and create images of enzymes that can decompose plastic. Read more about their story: bit.ly/3XI7KK3

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CarlssonLab
CarlssonLab@CarlssonLab·
Interested in molecular dynamics simulations, free energy calculations, enzymes and evolution? My colleague Johan Åqvist is recruiting postdoctoral researchers, apply here: uu.varbi.com/en/what:job/jo…
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Lipi Thukral
Lipi Thukral@Sci_Lipi·
I will be speaking about "Shifting paradigms of in silico structural biology" at the event below. Thanks to the Ashoka University team comp. bio department Ashish @MenonBioPhysics Prof. Alok for the invitation. Looking forward to kickstart the session tomorrow!
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Saha
Saha@soha_littlestar·
Had an amazing experience presenting my first poster at the recent @isqbp conference in beautiful Athens! Learned so much and connected with incredible minds. Thanks you to the organiser of this amazing event @zoecournia .
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ISQBP
ISQBP@isqbp·
@marcvanderkamp Thanks for sending us your students and congratulations on their awards!
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marcvanderkamp@bluesky.social
[email protected]@marcvanderkamp·
@cojocarulab @isqbp Great news! Looking at connections already... ;) (When not flying, is it really needed to travel by bus from Munich or so, or are there train connections too?)
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Vlad Cojocaru
Vlad Cojocaru@cojocarulab·
Leaving Athens as the new president of @isqbp . Looking at the list of past presidents, this is such an honor that I almost can't believe it. Looking forward to organize in 2026 in Cluj a memorable president's meeting. Cluj is an amazing city (easy to reach from anywhere)
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Vlad Cojocaru
Vlad Cojocaru@cojocarulab·
ISQBP meeting was really exceptional. So happy to see old friends and meet new ones. Very nice community @isqbp . Many thanks Zoe yet again (@zoecournia) for organizing this amazing Athens edition.
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Marco De Vivo
Marco De Vivo@devivo_marco·
Honored proud & happy to have been elected Vice President (President, 2026) of the International Society of Quantum Biology and Pharmacology (ISQBP). I’ll do my best to honor a vivid community of computational scientists at the interface of comp and pharma! @IITalk @isqbp
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Jean-Philip Piquemal
Jean-Philip Piquemal@jppiquem·
Honored to have been nominated as Councilor of the International Society of Quantum Biology and Pharmacology @isqbp. Leaving Greece now, the 2024 ISQBP President's meeting has been particularly successful. A big thank to @zoecournia for this great conference!!! #compchem
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Keşfet

@naturemethods @ACSCOMP @CCG_MOE @WileyCTChem @OpenEyeSoftware @ncats_nih_gov @UWproteindesign @wpwalters