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Binding Pose Flip Explained via Enthalpic and Entropic Contributions.
Schauperl M, Czodrowski P, Fuchs JE, Huber RG, Waldner BJ, Podewitz M, Kramer C, Liedl KR. Schauperl M, et al. Among authors: czodrowski p. J Chem Inf Model. 2017 Feb 27;57(2):345-354. doi: 10.1021/acs.jcim.6b00483. Epub 2017 Feb 1. J Chem Inf Model. 2017. PMID: 28079371 Free PMC article.
Large-Scale Assessment of Binding Free Energy Calculations in Active Drug Discovery Projects.
Schindler CEM, Baumann H, Blum A, Böse D, Buchstaller HP, Burgdorf L, Cappel D, Chekler E, Czodrowski P, Dorsch D, Eguida MKI, Follows B, Fuchß T, Grädler U, Gunera J, Johnson T, Jorand Lebrun C, Karra S, Klein M, Knehans T, Koetzner L, Krier M, Leiendecker M, Leuthner B, Li L, Mochalkin I, Musil D, Neagu C, Rippmann F, Schiemann K, Schulz R, Steinbrecher T, Tanzer EM, Unzue Lopez A, Viacava Follis A, Wegener A, Kuhn D. Schindler CEM, et al. Among authors: czodrowski p. J Chem Inf Model. 2020 Nov 23;60(11):5457-5474. doi: 10.1021/acs.jcim.0c00900. Epub 2020 Sep 3. J Chem Inf Model. 2020. PMID: 32813975
hERG me out.
Czodrowski P. Czodrowski P. J Chem Inf Model. 2013 Sep 23;53(9):2240-51. doi: 10.1021/ci400308z. Epub 2013 Aug 21. J Chem Inf Model. 2013. PMID: 23944269
OCEAN: Optimized Cross rEActivity estimatioN.
Czodrowski P, Bolick WG. Czodrowski P, et al. J Chem Inf Model. 2016 Oct 24;56(10):2013-2023. doi: 10.1021/acs.jcim.6b00067. Epub 2016 Sep 26. J Chem Inf Model. 2016. PMID: 27668814
Structure-based optimization of non-peptidic Cathepsin D inhibitors.
Grädler U, Czodrowski P, Tsaklakidis C, Klein M, Werkmann D, Lindemann S, Maskos K, Leuthner B. Grädler U, et al. Among authors: czodrowski p. Bioorg Med Chem Lett. 2014 Sep 1;24(17):4141-50. doi: 10.1016/j.bmcl.2014.07.054. Epub 2014 Jul 25. Bioorg Med Chem Lett. 2014. PMID: 25086681
Combined Measurement of the Higgs Boson Mass in pp Collisions at sqrt[s]=7 and 8 TeV with the ATLAS and CMS Experiments.
Aad G, Abbott B, Abdallah J, Abdinov O, Aben R, Abolins M, AbouZeid OS, Abramowicz H, Abreu H, Abreu R, Abulaiti Y, Acharya BS, Adamczyk L, Adams DL, Adelman J, Adomeit S, Adye T, Affolder AA, Agatonovic-Jovin T, Aguilar-Saavedra JA, Ahlen SP, Ahmadov F, Aielli G, Akerstedt H, Åkesson TP, Akimoto G, Akimov AV, Alberghi GL, Albert J, Albrand S, Alconada Verzini MJ, Aleksa M, Aleksandrov IN, Alexa C, Alexander G, Alexopoulos T, Alhroob M, Alimonti G, Alio L, Alison J, Alkire SP, Allbrooke BM, Allport PP, Aloisio A, Alonso A, Alonso F, Alpigiani C, Altheimer A, Alvarez Gonzalez B, Álvarez Piqueras D, Alviggi MG, Amadio BT, Amako K, Amaral Coutinho Y, Amelung C, Amidei D, Amor Dos Santos SP, Amorim A, Amoroso S, Amram N, Amundsen G, Anastopoulos C, Ancu LS, Andari N, Andeen T, Anders CF, Anders G, Anders JK, Anderson KJ, Andreazza A, Andrei V, Angelidakis S, Angelozzi I, Anger P, Angerami A, Anghinolfi F, Anisenkov AV, Anjos N, Annovi A, Antonelli M, Antonov A, Antos J, Anulli F, Aoki M, Aperio Bella L, Arabidze G, Arai Y, Araque JP, Arce AT, Arduh FA, Arguin JF, Argyropoulos S, Arik M, Armbruster AJ, Arnaez O, Arnal V, Arnold H, Arratia M, Arslan O, Artamonov A, Artoni G, Asai S, Asb… See abstract for full author list ➔ Aad G, et al. Among authors: czodrowski p. Phys Rev Lett. 2015 May 15;114(19):191803. doi: 10.1103/PhysRevLett.114.191803. Epub 2015 May 14. Phys Rev Lett. 2015. PMID: 26024162 Free article.
283 results