Skip to main page content
U.S. flag

An official website of the United States government

Dot gov

The .gov means it’s official.
Federal government websites often end in .gov or .mil. Before sharing sensitive information, make sure you’re on a federal government site.

Https

The site is secure.
The https:// ensures that you are connecting to the official website and that any information you provide is encrypted and transmitted securely.

Access keys NCBI Homepage MyNCBI Homepage Main Content Main Navigation

Search Page

Filters

My NCBI Filters

Results by year

Table representation of search results timeline featuring number of search results per year.

Year Number of Results
2005 2
2006 1
2007 1
2009 5
2010 1
2011 1
2012 2
2013 1
2014 3
2015 1
2018 3
2019 1
2020 2
2021 5
2022 3
2023 5
2024 1

Text availability

Article attribute

Article type

Publication date

Search Results

36 results

Results by year

Filters applied: . Clear all
Page 1
Adaptive ensemble simulations of biomolecules.
Kasson PM, Jha S. Kasson PM, et al. Among authors: jha s. Curr Opin Struct Biol. 2018 Oct;52:87-94. doi: 10.1016/j.sbi.2018.09.005. Epub 2018 Sep 25. Curr Opin Struct Biol. 2018. PMID: 30265901 Free PMC article. Review.
Optimal decision-making in high-throughput virtual screening pipelines.
Woo HM, Qian X, Tan L, Jha S, Alexander FJ, Dougherty ER, Yoon BJ. Woo HM, et al. Among authors: jha s. Patterns (N Y). 2023 Nov 3;4(11):100875. doi: 10.1016/j.patter.2023.100875. eCollection 2023 Nov 10. Patterns (N Y). 2023. PMID: 38035191 Free PMC article.
Large-Scale Molecular Dynamics Simulations of Cellular Compartments.
Wilson E, Vant J, Layton J, Boyd R, Lee H, Turilli M, Hernández B, Wilkinson S, Jha S, Gupta C, Sarkar D, Singharoy A. Wilson E, et al. Among authors: jha s. Methods Mol Biol. 2021;2302:335-356. doi: 10.1007/978-1-0716-1394-8_18. Methods Mol Biol. 2021. PMID: 33877636
Mechanism-centric regulatory network identifies NME2 and MYC programs as markers of Enzalutamide resistance in CRPC.
Panja S, Truica MI, Yu CY, Saggurthi V, Craige MW, Whitehead K, Tuiche MV, Al-Saadi A, Vyas R, Ganesan S, Gohel S, Coffman F, Parrott JS, Quan S, Jha S, Kim I, Schaeffer E, Kothari V, Abdulkadir SA, Mitrofanova A. Panja S, et al. Among authors: jha s. Nat Commun. 2024 Jan 8;15(1):352. doi: 10.1038/s41467-024-44686-5. Nat Commun. 2024. PMID: 38191557 Free PMC article.
FAIR for AI: An interdisciplinary and international community building perspective.
Huerta EA, Blaiszik B, Brinson LC, Bouchard KE, Diaz D, Doglioni C, Duarte JM, Emani M, Foster I, Fox G, Harris P, Heinrich L, Jha S, Katz DS, Kindratenko V, Kirkpatrick CR, Lassila-Perini K, Madduri RK, Neubauer MS, Psomopoulos FE, Roy A, Rübel O, Zhao Z, Zhu R. Huerta EA, et al. Among authors: jha s. Sci Data. 2023 Jul 26;10(1):487. doi: 10.1038/s41597-023-02298-6. Sci Data. 2023. PMID: 37495591 Free PMC article.
#COVIDisAirborne: AI-enabled multiscale computational microscopy of delta SARS-CoV-2 in a respiratory aerosol.
Dommer A, Casalino L, Kearns F, Rosenfeld M, Wauer N, Ahn SH, 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 DG, Qiao Z, Sirumalla SK, O'Connor M, Manby F, Anandkumar A, Hardy D, Phillips J, Stern A, Romero J, Clark D, Dorrell M, Maiden T, Huang L, McCalpin J, Woods C, Gray A, Williams M, Barker B, Rajapaksha H, Pitts R, Gibbs T, Stone J, Zuckerman DM, Mulholland AJ, Miller T 3rd, Jha S, Ramanathan A, Chong L, Amaro RE. Dommer A, et al. Among authors: jha s. Int J High Perform Comput Appl. 2023 Jan;37(1):28-44. doi: 10.1177/10943420221128233. Epub 2022 Oct 2. Int J High Perform Comput Appl. 2023. PMID: 36647365 Free PMC article.
High-Throughput Virtual Screening and Validation of a SARS-CoV-2 Main Protease Noncovalent Inhibitor.
Clyde A, Galanie S, Kneller DW, Ma H, Babuji Y, Blaiszik B, Brace A, Brettin T, Chard K, Chard R, Coates L, Foster I, Hauner D, Kertesz V, Kumar N, Lee H, Li Z, Merzky A, Schmidt JG, Tan L, Titov M, Trifan A, Turilli M, Van Dam H, Chennubhotla SC, Jha S, Kovalevsky A, Ramanathan A, Head MS, Stevens R. Clyde A, et al. Among authors: jha s. J Chem Inf Model. 2022 Jan 10;62(1):116-128. doi: 10.1021/acs.jcim.1c00851. Epub 2021 Nov 18. J Chem Inf Model. 2022. PMID: 34793155 Free article.
AI-Driven Multiscale Simulations Illuminate Mechanisms of SARS-CoV-2 Spike Dynamics.
Casalino L, Dommer A, Gaieb Z, Barros EP, Sztain T, Ahn SH, Trifan A, Brace A, Bogetti A, Ma H, Lee H, Turilli M, Khalid S, Chong L, Simmerling C, Hardy DJ, Maia JDC, Phillips JC, Kurth T, Stern A, Huang L, McCalpin J, Tatineni M, Gibbs T, Stone JE, Jha S, Ramanathan A, Amaro RE. Casalino L, et al. Among authors: jha s. bioRxiv [Preprint]. 2020 Nov 20:2020.11.19.390187. doi: 10.1101/2020.11.19.390187. bioRxiv. 2020. PMID: 33236007 Free PMC article. Updated. Preprint.
High-throughput binding affinity calculations at extreme scales.
Dakka J, Turilli M, Wright DW, Zasada SJ, Balasubramanian V, Wan S, Coveney PV, Jha S. Dakka J, et al. Among authors: jha s. BMC Bioinformatics. 2018 Dec 21;19(Suppl 18):482. doi: 10.1186/s12859-018-2506-6. BMC Bioinformatics. 2018. PMID: 30577753 Free PMC article.
36 results