المؤلفون: Bogetti, Anthony, Leung, Jeremy, Russo, John, Zhang, She, Thompson, Jeff, Saglam, Ali, Ray, Dhiman, Mostofian, Barmak, Pratt, A, Abraham, Rhea, Harrison, Page, Dudek, Max, Torrillo, Paul, DeGrave, Alex, Adhikari, Upendra, Faeder, James, Andricioaei, Ioan, Adelman, Joshua, Zwier, Matthew, LeBard, David, Zuckerman, Daniel, Chong, Lillian

وصف الملف: application/pdf

الوصول الحر: https://escholarship.org/uc/item/3t6759vkTest

المؤلفون: Dommer, Abigail, Casalino, Lorenzo, Kearns, Fiona, Rosenfeld, Mia, Wauer, Nicholas, Ahn, Surl-Hee, Russo, John, Oliveira, Sofia, Morris, Clare, Bogetti, Anthony, Trifan, Anda, Brace, Alexander, Sztain, Terra, Clyde, Austin, Ma, Heng, Chennubhotla, Chakra, Lee, Hyungro, Turilli, Matteo, Khalid, Syma, Tamayo-Mendoza, Teresa, Welborn, Matthew, Christensen, Anders, Smith, Daniel Ga, Qiao, Zhuoran, Sirumalla, Sai K, O'Connor, Michael, Manby, Frederick, Anandkumar, Anima, Hardy, David, Phillips, James, Stern, Abraham, Romero, Josh, Clark, David, Dorrell, Mitchell, Maiden, Tom, Huang, Lei, McCalpin, John, Woods, Christopher, Gray, Alan, Williams, Matt, Barker, Bryan, Rajapaksha, Harinda, Pitts, Richard, Gibbs, Tom, Stone, John, Zuckerman, Daniel M, Mulholland, Adrian J, Miller, Thomas, Jha, Shantenu, Ramanathan, Arvind, Chong, Lillian, Amaro, Rommie E

المصدر: The international journal of high performance computing applications. 37(1)

مصطلحات موضوعية: AI, COVID-19, Delta, GPU, HPC, SARS-CoV-2, aerosols, computational virology, deep learning, molecular dynamics, multiscale simulation, weighted ensemble, Biodefense, Emerging Infectious Diseases, Pneumonia & Influenza, Infectious Diseases, Prevention, Vaccine Related, Lung, Infection, Good Health and Well Being, Distributed Computing

وصف الملف: application/pdf

الوصول الحر: https://escholarship.org/uc/item/1jt1329tTest

المؤلفون: Bogetti, Anthony T., Zwier, Matthew C., Chong, Lillian T.

المساهمون: National Institute of General Medical Sciences

المصدر: Journal of the American Chemical Society ; volume 146, issue 18, page 12828-12835 ; ISSN 0002-7863 1520-5126

الإتاحة: https://doi.org/10.1021/jacs.4c03360Test

المؤلفون: Sztain, Terra, Ahn, Surl-Hee, Bogetti, Anthony T, Casalino, Lorenzo, Goldsmith, Jory A, Seitz, Evan, McCool, Ryan S, Kearns, Fiona L, Acosta-Reyes, Francisco, Maji, Suvrajit, Mashayekhi, Ghoncheh, McCammon, J Andrew, Ourmazd, Abbas, Frank, Joachim, McLellan, Jason S, Chong, Lillian T, Amaro, Rommie E

المصدر: Nature Chemistry. 13(10)

مصطلحات موضوعية: Infectious Diseases, Biodefense, Prevention, Pneumonia, Lung, Emerging Infectious Diseases, Vaccine Related, 2.1 Biological and endogenous factors, Aetiology, Cryoelectron Microscopy, Humans, Molecular Dynamics Simulation, Polysaccharides, Spike Glycoprotein, Coronavirus, Chemical Sciences, Organic Chemistry

وصف الملف: application/pdf

الوصول الحر: https://escholarship.org/uc/item/5r47w77rTest

المؤلفون: Casalino, Lorenzo, Dommer, Abigail C, Gaieb, Zied, Barros, Emilia P, Sztain, Terra, Ahn, Surl-Hee, Trifan, Anda, Brace, Alexander, Bogetti, Anthony T, Clyde, Austin, Ma, Heng, Lee, Hyungro, Turilli, Matteo, Khalid, Syma, Chong, Lillian T, Simmerling, Carlos, Hardy, David J, Maia, Julio DC, Phillips, James C, Kurth, Thorsten, Stern, Abraham C, Huang, Lei, McCalpin, John D, Tatineni, Mahidhar, Gibbs, Tom, Stone, John E, Jha, Shantenu, Ramanathan, Arvind, Amaro, Rommie E

المصدر: The International Journal of High Performance Computing Applications. 35(5)

مصطلحات موضوعية: Vaccine Related, Biodefense, Infectious Diseases, Prevention, Lung, Emerging Infectious Diseases, Infection, Good Health and Well Being, Molecular dynamics, deep learning, multiscale simulation, weighted ensemble, computational virology, SARS-CoV-2, COVID19, HPC, GPU, AI, Distributed Computing

وصف الملف: application/pdf

الوصول الحر: https://escholarship.org/uc/item/9x8935bcTest

المؤلفون: Bogetti, Anthony T., Leung, Jeremy M. G., Russo, John D., Zhang, She, Thompson, Jeff P., Saglam, Ali S., Ray, Dhiman, Mostofian, Barmak, Pratt, A. J., Abraham, Rhea C., Harrison, Page O., Dudek, Max, Torrillo, Paul A., DeGrave, Alex J., Adhikari, Upendra, Faeder, James R., Andricioaei, Ioan, Adelman, Joshua L., Zwier, Matthew C., LeBard, David N., Zuckerman, Daniel M., Chong, Lillian T.

المصدر: Living Journal of Computational Molecular Science; Vol. 5 No. 1 (2023); 1655 ; 2575-6524 ; 10.33011/livecoms.5.1

مصطلحات موضوعية: enhanced sampling, molecular dynamics simulations

وصف الملف: application/pdf

العلاقة: https://livecomsjournal.org/index.php/livecoms/article/view/v5i1e1655/1577Test; https://livecomsjournal.org/index.php/livecoms/article/view/v5i1e1655/1579Test; https://livecomsjournal.org/index.php/livecoms/article/view/v5i1e1655Test

الإتاحة: https://doi.org/10.33011/livecoms.5.1.1655Test
https://doi.org/10.33011/livecoms.5.1Test
https://livecomsjournal.org/index.php/livecoms/article/view/v5i1e1655Test

المؤلفون: Dommer, Abigail, Casalino, Lorenzo, Kearns, Fiona, Rosenfeld, Mia, Wauer, Nicholas, Ahn, Surl-Hee, Russo, John, Oliveira, Sofia, Morris, Clare, Bogetti, Anthony, Trifan, Anda, Brace, Alexander, Sztain, Terra, Clyde, Austin, Ma, Heng, Chennubhotla, Chakra, Lee, Hyungro, Turilli, Matteo, Khalid, Syma, Tamayo-Mendoza, Teresa, Welborn, Matthew, Christensen, Anders, Smith, Daniel Ga, Qiao, Zhuoran, Sirumalla, Sai K, O'Connor, Michael, Manby, Frederick, Anandkumar, Anima, Hardy, David, Phillips, James, Stern, Abraham, Romero, Josh, Clark, David, Dorrell, Mitchell, Maiden, Tom, Huang, Lei, McCalpin, John, Woods, Christopher, Gray, Alan, Williams, Matt, Barker, Bryan, Rajapaksha, Harinda, Pitts, Richard, Gibbs, Tom, Stone, John, Zuckerman, Daniel M, Mulholland, Adrian J, Miller, Thomas, Jha, Shantenu, Ramanathan, Arvind, Chong, Lillian, Amaro, Rommie E

المصدر: Dommer , A , Casalino , L , Kearns , F , Rosenfeld , M , Wauer , N , Ahn , S-H , Russo , J , Oliveira , S , Morris , C , Bogetti , A , Trifan , A , Brace , A , Sztain , T , Clyde , A , Ma , H , Chennubhotla , C , Lee , H , Turilli , M , Khalid , S , Tamayo-Mendoza , T , Welborn , M , Christensen , A , Smith , D G , Qiao , Z , Sirumalla , ....

العلاقة: https://research-information.bris.ac.uk/en/publications/f3704d7d-5a45-4e83-91b1-ee278403bb12Test

الإتاحة: https://doi.org/10.1101/2021.11.12.468428Test
https://hdl.handle.net/1983/f3704d7d-5a45-4e83-91b1-ee278403bb12Test
https://research-information.bris.ac.uk/en/publications/f3704d7d-5a45-4e83-91b1-ee278403bb12Test

المؤلفون: Bogetti, Anthony T.

المصدر: Biophysical Journal ; volume 122, issue 3, page 143a ; ISSN 0006-3495

مصطلحات موضوعية: Biophysics

الإتاحة: https://doi.org/10.1016/j.bpj.2022.11.934Test
https://api.elsevier.com/content/article/PII:S0006349522018501?httpAccept=text/xmlTest
https://api.elsevier.com/content/article/PII:S0006349522018501?httpAccept=text/plainTest

المؤلفون: Leung, Jeremy M. G., Bogetti, Anthony

العلاقة: https://github.com/jeremyleung521/LPATH/tree/v0.9.6Test; https://dx.doi.org/10.5281/zenodo.8403685Test

الإتاحة: https://doi.org/10.5281/zenodo.840368610.5281/zenodo.8403685Test
https://zenodo.org/record/8403686Test

المؤلفون: Bogetti, Anthony T., Leung, Jeremy M. G., Chong, Lillian T.

المساهمون: University of Pittsburgh, Division of Molecular and Cellular Biosciences, National Institute of General Medical Sciences

المصدر: Journal of Chemical Information and Modeling ; volume 63, issue 24, page 7610-7616 ; ISSN 1549-9596 1549-960X

الإتاحة: https://doi.org/10.1021/acs.jcim.3c01318Test