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

Joined January 2021
The final program of the 2024 ISQBP President's Meeting is out! isqbp2024.org/program/. The conference will open today at the @academyofathens with the Computational Biology Award Lecture presented by John Åqvist @UU_University
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Academic Twitter is having a meltdown because some people have just learned that you should actually read the sources you cite. This really shouldn't be as controversial as it appears to be.
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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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#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/s41592-0…
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Fall 2025 @ACSCOMP Award applications are open: sites.google.com/site/acscom… @CCG_MOE Excellence Award for Grad Students @WileyCTChem COMP ACS Outstanding Postdoc Award @OpenEyeSoftware OpenEye/Cadence Outstanding Junior Faculty Award Deadline to apply 21 March!
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Please consider nominating candidates for these ACS COMP awards! The deadline is March 21! @ACSCOMP sites.google.com/site/acscom…
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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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Join our @ncats_nih_gov workshop 23-24 Oct 💫In Silico Drug Discovery w/ Nobel laureate David Baker @UWproteindesign @wpwalters @biogerontology @CherylArrowsmi1 @biobryn @jchodera @GisbertSchneid1 @Rbaltman @collabchem @cwcoley Free! Virtual! Come! ncats.corsizio.com/event/662…
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Prof. Johan Åqvist, the 2024 ISQBP Computational Biology awardee, presented today at @ScienceAcad_swe the work of the 2024 Nobel Laureates in Chemistry: D Baker D Hassabis, J Jumper, on "Computational Protein Design and Protein Structure Prediction" nobelprize.org/uploads/2024/…
Professor Johan Åqvist showing a few exemples of Nobel Prize Laureate David Bakers many protein structures. #NobelPrize2024
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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 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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Apply for the @ACSCOMP awards until September 12th! 👇
Spring 2025 Award applications are now open: acscomp.org/awards Chemical Computing Group Excellence Award for Grad Students @CCG_MOE Wiley COMP ACS Outstanding Postdoc Award @WileyCTChem OpenEye Outstanding Junior Faculty Award @OpenEyeSoftware Deadline to apply is Sept 12!
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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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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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Thrilled and grateful to have presented two contributed talks on enzyme tunnels at @isqbp in Athens! Had an amazing time in this beautiful city. Huge thanks to the organizers @zoecournia for making it all possible! #conference #athens #enzyme #isqbp2024
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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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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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Leaving Athens after @isqbp meeting. Great science, fantastic organization by @zoecournia and beauty!
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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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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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