Výsledky vyhledávání

Akademický článek

Discovery of Broad-Spectrum Herpes Antiviral Oxazolidinone Amide Derivatives and Their Structure-Activity Relationships.

Autor: Plotkin MA; Discovery Chemistry, Merck & Co., Inc., West Point, Pennsylvania 19486, United States., Labroli M; Discovery Chemistry, Merck & Co., Inc., West Point, Pennsylvania 19486, United States., Schubert J; Discovery Chemistry, Merck & Co., Inc., West Point, Pennsylvania 19486, United States., Shaw A; Discovery Chemistry, Merck & Co., Inc., West Point, Pennsylvania 19486, United States., Schlegel KS; Discovery Chemistry, Merck & Co., Inc., West Point, Pennsylvania 19486, United States., Berger R; Discovery Chemistry, Merck & Co., Inc., West Point, Pennsylvania 19486, United States., Cooke AJ; Medicinal Chemistry, Exscientia, 53 State Street, Boston, Massachusetts 02109, United States., Hayes RP; Protein and Structural Chemistry, Merck & Co., Inc., West Point, Pennsylvania 19486, United States., Armacost KA; Computational Sciences, GlaxoSmithKline, Collegeville Pennsylvania 19426, United States., Kinek K; Discovery Biology, Merck & Co., Inc., West Point, Pennsylvania 19486, United States., Krosky P; In Vitro Pharmacology, Merck & Co., Inc., West Point, Pennsylvania 19486, United States., Burlein C; In Vitro Pharmacology, Merck & Co., Inc., West Point, Pennsylvania 19486, United States., Meng S; In Vitro Pharmacology, Merck & Co., Inc., West Point, Pennsylvania 19486, United States., DiNunzio E; Quantitative Biosciences, Merck & Co., Inc., Rahway, New Jersey 07065, United States., Murray EM; Discovery Biology, Merck & Co., Inc., West Point, Pennsylvania 19486, United States., Agrawal S; Quantitative Biosciences, Merck & Co., Inc., Rahway, New Jersey 07065, United States., Madeira M; Discovery Pharmaceutical Sciences, Merck & Co., Inc., Rahway, New Jersey 07065, United States., Flattery A; In Vivo Pharmacology, Merck & Co., Inc., West Point, Pennsylvania 19486, United States., Yao H; Discovery Pharmaceutical Sciences, Merck & Co., Inc., Rahway, New Jersey 07065, United States., Leithead A; Discovery Pharmaceutical Sciences, Merck & Co., Inc., West Point, Pennsylvania 19486, United States., Rose WA 2nd; In Vivo Pharmacology, Merck & Co., Inc., West Point, Pennsylvania 19486, United States., Cox C; Discovery Chemistry, Merck & Co., Inc., West Point, Pennsylvania 19486, United States., Tellers DM; Discovery Chemistry, Merck & Co., Inc., West Point, Pennsylvania 19486, United States., McKenna PM; Discovery Biology, Merck & Co., Inc., West Point, Pennsylvania 19486, United States., Raheem I; Discovery Chemistry, Merck & Co., Inc., West Point, Pennsylvania 19486, United States.

Publikováno v: ACS medicinal chemistry letters [ACS Med Chem Lett] 2024 Jul 09; Vol. 15 (8), pp. 1232-1241. Date of Electronic Publication: 2024 Jul 09 (Print Publication: 2024).

Zobrazit plný text záznamu

Akademický článek

Applications of Model-Based Target Pharmacology Assessment in Defining Drug Design and DMPK Strategies: GSK Experiences.

Autor: Chen EP; Systems Modeling and Translational Biology, Computational Sciences, GlaxoSmithKline, Collegeville, Pennsylvania 19426, United States., Bondi RW; Systems Modeling and Translational Biology, Computational Sciences, GlaxoSmithKline, Collegeville, Pennsylvania 19426, United States., Zhang C; Systems Modeling and Translational Biology, Computational Sciences, GlaxoSmithKline, Collegeville, Pennsylvania 19426, United States., Price DJ; Molecular Design, Computational Sciences, GlaxoSmithKline, Collegeville, Pennsylvania 19426, United States., Ho MH; Molecular Design, Computational Sciences, GlaxoSmithKline, Collegeville, Pennsylvania 19426, United States., Armacost KA; Molecular Design, Computational Sciences, GlaxoSmithKline, Collegeville, Pennsylvania 19426, United States., DeMartino MP; Medicinal Chemistry, Medicine Design, GlaxoSmithKline, Collegeville, Pennsylvania 19426, United States.

Publikováno v: Journal of medicinal chemistry [J Med Chem] 2022 May 12; Vol. 65 (9), pp. 6926-6939. Date of Electronic Publication: 2022 May 02.

Zobrazit plný text záznamu

Akademický článek

Structural understanding of non-nucleoside inhibition in an elongating herpesvirus polymerase.

Autor: Hayes RP; Computational and Structural Chemistry, Merck & Co., Inc., West Point, PA, USA. robert.hayes@merck.com., Heo MR; Computational and Structural Chemistry, Merck & Co., Inc., West Point, PA, USA., Mason M; Computational and Structural Chemistry, Merck & Co., Inc., West Point, PA, USA., Reid J; Computational and Structural Chemistry, Merck & Co., Inc., West Point, PA, USA., Burlein C; Quantitative Biosciences, Merck & Co., Inc., West Point, PA, USA., Armacost KA; Computational and Structural Chemistry, Merck & Co., Inc., West Point, PA, USA., Tellers DM; Discovery Chemistry, Merck & Co., Inc., West Point, PA, USA., Raheem I; Discovery Chemistry, Merck & Co., Inc., West Point, PA, USA., Shaw AW; Discovery Chemistry, Merck & Co., Inc., West Point, PA, USA., Murray E; Infectious Diseases and Vaccines, Merck & Co., Inc., West Point, PA, USA., McKenna PM; Infectious Diseases and Vaccines, Merck & Co., Inc., West Point, PA, USA., Abeywickrema P; Computational and Structural Chemistry, Merck & Co., Inc., West Point, PA, USA., Sharma S; Computational and Structural Chemistry, Merck & Co., Inc., West Point, PA, USA., Soisson SM; Computational and Structural Chemistry, Merck & Co., Inc., West Point, PA, USA., Klein D; Computational and Structural Chemistry, Merck & Co., Inc., West Point, PA, USA.

Publikováno v: Nature communications [Nat Commun] 2021 May 24; Vol. 12 (1), pp. 3040. Date of Electronic Publication: 2021 May 24.

Zobrazit plný text záznamu

Akademický článek

Structures of active-state orexin receptor 2 rationalize peptide and small-molecule agonist recognition and receptor activation.

Autor: Hong C; Computational & Structural Chemistry, MRL, Merck & Co., Inc, Kenilworth, NJ, USA., Byrne NJ; Computational & Structural Chemistry, MRL, Merck & Co., Inc, West Point, PA, USA., Zamlynny B; Screening & Compound Profiling, MRL, Merck & Co., Inc, Kenilworth, NJ, USA., Tummala S; Computational & Structural Chemistry, MRL, Merck & Co., Inc, West Point, PA, USA., Xiao L; Computational & Structural Chemistry, MRL, Merck & Co., Inc, Kenilworth, NJ, USA., Shipman JM; Computational & Structural Chemistry, MRL, Merck & Co., Inc, West Point, PA, USA., Partridge AT; Computational & Structural Chemistry, MRL, Merck & Co., Inc, West Point, PA, USA., Minnick C; Quantitative Bioscience, MRL, Merck & Co., Inc, West Point, PA, USA., Breslin MJ; Discovery Chemistry, MRL, Merck & Co., Inc, West Point, PA, USA., Rudd MT; Discovery Chemistry, MRL, Merck & Co., Inc, West Point, PA, USA., Stachel SJ; Discovery Chemistry, MRL, Merck & Co., Inc, West Point, PA, USA., Rada VL; Discovery Chemistry, MRL, Merck & Co., Inc, West Point, PA, USA., Kern JC; Discovery Chemistry, MRL, Merck & Co., Inc, West Point, PA, USA., Armacost KA; Computational & Structural Chemistry, MRL, Merck & Co., Inc, West Point, PA, USA., Hollingsworth SA; Computational & Structural Chemistry, MRL, Merck & Co., Inc., South San Francisco, CA, USA., O'Brien JA; Quantitative Bioscience, MRL, Merck & Co., Inc, West Point, PA, USA., Hall DL; Computational & Structural Chemistry, MRL, Merck & Co., Inc, West Point, PA, USA., McDonald TP; Neuroscience, MRL, Merck & Co., Inc, West Point, PA, USA., Strickland C; Computational & Structural Chemistry, MRL, Merck & Co., Inc, Kenilworth, NJ, USA., Brooun A; Computational & Structural Chemistry, MRL, Merck & Co., Inc, West Point, PA, USA., Soisson SM; Computational & Structural Chemistry, MRL, Merck & Co., Inc, West Point, PA, USA. stephen_soisson@merck.com., Hollenstein K; Computational & Structural Chemistry, MRL, Merck & Co., Inc, West Point, PA, USA. kaspar.hollenstein@merck.com.

Publikováno v: Nature communications [Nat Commun] 2021 Feb 05; Vol. 12 (1), pp. 815. Date of Electronic Publication: 2021 Feb 05.

Zobrazit plný text záznamu

Editorial & Opinion

Exploring Novel Directions in Free Energy Calculations.

Autor: Armacost KA; Computational and Structural Chemistry, MRL, Merck & Co., Inc. West Point, Pennsylvania 19486, United States., Riniker S; Laboratory of Physical Chemistry, ETH Zürich, Vladimir-Prelog-Weg 2, 8093 Zürich, Switzerland., Cournia Z; Biomedical Research Foundation Academy of Athens, Soranou Ephessiou 4, 11527 Athens, Greece.

Publikováno v: Journal of chemical information and modeling [J Chem Inf Model] 2020 Nov 23; Vol. 60 (11), pp. 5283-5286.

Zobrazit plný text záznamu

Vyhledávací nástroje:

Upřesnit hledání