[ccp4bb] A little diversion: New Article On Ethics and Evolution in Science and Life
Dear ccpem and ccp4bb members, At the risk of giving you a short detour, here's a shameless publicity of my new article on ethics in science and how we can improve scientific productivity and evolution of scientists and humans. https://www.researchgate.net/publication/376173869_Homo_Corruptis_Humanity's_Last_and_Final_Nemesis_Why_We_Will_Not_Survive_Corruption_A_Model_For_Zero-Corruption_Terra_and_Academia Please give it a read and send in your comments. I am sharing it with the belief that the best minds will read it through the platforms. With best wishes and regards, Yours sincerely, Dr. Arka Chakraborty To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a mailing list hosted by www.jiscmail.ac.uk, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/
Re: [ccp4bb] The experiment is still very much needed (though AlphaFold helps a lot)
That is very encouraging Tom. Thanks very much. Nice article and talk. Kind regards Arif On Thu, Nov 30, 2023 at 9:36 PM Tom Terwilliger < b6116340b489-dmarc-requ...@jiscmail.ac.uk> wrote: > Hi Structural biologist colleagues! > > Our article that helps you make the case that the experiment is still very > much needed is now out: > > https://www.nature.com/articles/s41592-023-02087-4 > > "AlphaFold predictions are valuable hypotheses and accelerate but do not > replace experimental structure determination." Nature Methods (2023) > > Also, here is a video on the Phenix Tutorials YouTube channel that > describes this analysis: https://www.youtube.com/watch?v=ugMPYdPo8Bc > > (I hope you will be happy to see that you and your structural biology > colleagues get the credit for making AlphaFold possible at 2:35 in the > introduction of this video! Keep up the fantastic structural biology work!) > > All the best, > Tom T > -- > Thomas C Terwilliger > Laboratory Fellow, Los Alamos National Laboratory > Senior Scientist, New Mexico Consortium > 100 Entrada Dr, Los Alamos, NM 87544 > Email: tterwilli...@newmexicoconsortium.org > Tel: 505-431-0010 > > > -- > > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 > -- Arif (MSc, PhD) To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a mailing list hosted by www.jiscmail.ac.uk, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/
[ccp4bb] online conference on membrane proteins
Dear All, I would like to invite you to the online Prometeus RISE-H2020 Conference on December 7, 2023. We will have sessions on: 1. Compound screening and synthesis for ligand design & protein stabilization 2. Strategies for protein production and stabilization 3. Protein Structure and Function Please register at https://prometeus-rise.org/news/ Thank you and best regards, Beatrice Vallone The Prometeus Project has received funding from the European Union’s H2020-MSCA-RISE-2018 Research and Innovation program under the Marie Skłodowska-Curie Grant Agreement No. 823780 Prof. Beatrice Vallone, PhD Director-H2CU International Honors Center of Italian Universities Dipartimento di Scienze Biochimiche Università di Roma "La Sapienza" P.le Aldo Moro, 5 00185 - Roma Italy Tel +39 06 49690276 Fax +39 06 4440062 eMail beatrice.vall...@uniroma1.it https://prometeus-rise.org/ https://vallonelab.it/ To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a mailing list hosted by www.jiscmail.ac.uk, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/
[ccp4bb] Regarding MM/GBSA binding energy of docked complexes
Greetings to all! I have performed molecular docking on a few compounds and the co-crystallized ligand using Glide. While calculating the MM/GBSA of the docked complexes through Prime MM/GBSA, the binding energies obtained for the docked compound as well as the co-crystallized compounds are positive while the docking scores are negative. I tried to find and rectify the mistakes but in vain. I do not understand how to proceed further. Any assistance in this regard would be very beneficial for me. Thanking in advance, With regards, Thripthi Shenoy. To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a mailing list hosted by www.jiscmail.ac.uk, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/
