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Year Number of Results
1986 1
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2002 5
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2005 12
2006 13
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2009 13
2010 13
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239 results

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Page 1
The Beginnings of JCTC.
Jorgensen WL. Jorgensen WL. J Chem Theory Comput. 2024 Sep 24;20(18):7692-7693. doi: 10.1021/acs.jctc.4c01146. J Chem Theory Comput. 2024. PMID: 39315606 No abstract available.
The need to implement FAIR principles in biomolecular simulations.
Amaro RE, Åqvist J, Bahar I, Battistini F, Bellaiche A, Beltran D, Biggin PC, Bonomi M, Bowman GR, Bryce RA, Bussi G, Carloni P, Case DA, Cavalli A, Chang CA, Cheatham TE 3rd, Cheung MS, Chipot C, Chong LT, Choudhary P, Cisneros GA, Clementi C, Collepardo-Guevara R, Coveney P, Covino R, Crawford TD, Dal Peraro M, de Groot BL, Delemotte L, De Vivo M, Essex JW, Fraternali F, Gao J, Gelpí JL, Gervasio FL, González-Nilo FD, Grubmüller H, Guenza MG, Guzman HV, Harris S, Head-Gordon T, Hernandez R, Hospital A, Huang N, Huang X, Hummer G, Iglesias-Fernández J, Jensen JH, Jha S, Jiao W, Jorgensen WL, Kamerlin SCL, Khalid S, Laughton C, Levitt M, Limongelli V, Lindahl E, Lindorff-Larsen K, Loverde S, Lundborg M, Luo YL, Luque FJ, Lynch CI, MacKerell AD Jr, Magistrato A, Marrink SJ, Martin H, McCammon JA, Merz K, Moliner V, Mulholland AJ, Murad S, Naganathan AN, Nangia S, Noe F, Noy A, Oláh J, O'Mara ML, Ondrechen MJ, Onuchic JN, Onufriev A, Osuna S, Palermo G, Panchenko AR, Pantano S, Parish C, Parrinello M, Perez A, Perez-Acle T, Perilla JR, Pettitt BM, Pietropaolo A, Piquemal JP, Poma AB, Praprotnik M, Ramos MJ, Ren P, Reuter N, Roitberg A, Rosta E, Rovira C, Roux B, Rothlisberger… See abstract for full author list ➔ Amaro RE, et al. Among authors: jorgensen wl. Nat Methods. 2025 Apr;22(4):641-645. doi: 10.1038/s41592-025-02635-0. Nat Methods. 2025. PMID: 40175561 Free article. No abstract available.
Supramolecular chemistry.
Jorgensen WL. Jorgensen WL. Proc Natl Acad Sci U S A. 1993 Mar 1;90(5):1635-6. doi: 10.1073/pnas.90.5.1635. Proc Natl Acad Sci U S A. 1993. PMID: 8446574 Free PMC article. Review. No abstract available.
Structure-Guided Identification of DNMT3B Inhibitors.
Newton AS, Faver JC, Micevic G, Muthusamy V, Kudalkar SN, Bertoletti N, Anderson KS, Bosenberg MW, Jorgensen WL. Newton AS, et al. Among authors: jorgensen wl. ACS Med Chem Lett. 2020 Feb 7;11(5):971-976. doi: 10.1021/acsmedchemlett.0c00011. eCollection 2020 May 14. ACS Med Chem Lett. 2020. PMID: 32435413 Free PMC article.
Prodrug nanotherapy demonstrates in vivo anticryptosporidial efficacy in a mouse model of chronic Cryptosporidium infection.
Ranjan AP, Czyzyk DJ, Martinez-Traverso G, Sadiqova A, Valhondo M, Schaefer DA, Spasov KA, Jorgensen WL, Vishwanatha JK, Riggs MW, Castellanos-Gonzalez A, Anderson KS. Ranjan AP, et al. Among authors: jorgensen wl. RSC Pharm. 2024 Sep 19;1(5):963-975. doi: 10.1039/d4pm00093e. eCollection 2024 Dec 10. RSC Pharm. 2024. PMID: 39372445 Free PMC article.
Computer-aided discovery of anti-HIV agents.
Jorgensen WL. Jorgensen WL. Bioorg Med Chem. 2016 Oct 15;24(20):4768-4778. doi: 10.1016/j.bmc.2016.07.039. Epub 2016 Jul 21. Bioorg Med Chem. 2016. PMID: 27485603 Free PMC article.
A Reflection on Norman Louis Allinger.
Schaefer HF 3rd, Jorgensen WL. Schaefer HF 3rd, et al. Among authors: jorgensen wl. J Chem Theory Comput. 2021 Apr 13;17(4):2013. doi: 10.1021/acs.jctc.1c00252. Epub 2021 Mar 17. J Chem Theory Comput. 2021. PMID: 33729801 No abstract available.
Prediction of drug solubility from structure.
Jorgensen WL, Duffy EM. Jorgensen WL, et al. Adv Drug Deliv Rev. 2002 Mar 31;54(3):355-66. doi: 10.1016/s0169-409x(02)00008-x. Adv Drug Deliv Rev. 2002. PMID: 11922952 Review.
239 results