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The GROMOS software for biomolecular simulation: GROMOS05.
Christen M, Hünenberger PH, Bakowies D, Baron R, Bürgi R, Geerke DP, Heinz TN, Kastenholz MA, Kräutler V, Oostenbrink C, Peter C, Trzesniak D, van Gunsteren WF. Christen M, et al. Among authors: geerke dp. J Comput Chem. 2005 Dec;26(16):1719-51. doi: 10.1002/jcc.20303. J Comput Chem. 2005. PMID: 16211540
Genetic Control and Evolution of Anthocyanin Methylation.
Provenzano S, Spelt C, Hosokawa S, Nakamura N, Brugliera F, Demelis L, Geerke DP, Schubert A, Tanaka Y, Quattrocchio F, Koes R. Provenzano S, et al. Among authors: geerke dp. Plant Physiol. 2014 Jul;165(3):962-977. doi: 10.1104/pp.113.234526. Epub 2014 May 15. Plant Physiol. 2014. PMID: 24830298 Free PMC article.
New functionalities in the GROMOS biomolecular simulation software.
Kunz AP, Allison JR, Geerke DP, Horta BA, Hünenberger PH, Riniker S, Schmid N, van Gunsteren WF. Kunz AP, et al. Among authors: geerke dp. J Comput Chem. 2012 Jan 30;33(3):340-53. doi: 10.1002/jcc.21954. Epub 2011 Nov 11. J Comput Chem. 2012. PMID: 22076815
Biomolecular modeling: Goals, problems, perspectives.
van Gunsteren WF, Bakowies D, Baron R, Chandrasekhar I, Christen M, Daura X, Gee P, Geerke DP, Glättli A, Hünenberger PH, Kastenholz MA, Oostenbrink C, Schenk M, Trzesniak D, van der Vegt NF, Yu HB. van Gunsteren WF, et al. Among authors: geerke dp. Angew Chem Int Ed Engl. 2006 Jun 19;45(25):4064-92. doi: 10.1002/anie.200502655. Angew Chem Int Ed Engl. 2006. PMID: 16761306 Review.
C-X Bond Activation by Palladium: Steric Shielding versus Steric Attraction.
Hansen T, Sun X, Dalla Tiezza M, van Zeist WJ, van Stralen JNP, Geerke DP, Wolters LP, Poater J, Hamlin TA, Bickelhaupt FM. Hansen T, et al. Among authors: geerke dp. Chemistry. 2022 Aug 4;28(44):e202201093. doi: 10.1002/chem.202201093. Epub 2022 Jun 16. Chemistry. 2022. PMID: 35420229 Free PMC article.
59 results