Scientific inquiry, inference and critical reasoning in the macromolecular crystallography curriculum

被引:11
作者
Rupp, Bernhard
机构
[1] Q.e.d. Life Science Discoveries Inc., United States
关键词
model interpretation; Bayesian inference; validation; scientific reasoning; Kuhn; Popper; Feyerabend; RETRACTED ARTICLE. SEE;
D O I
10.1107/S0021889810027184
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
The astounding progress in methods and technology that led to the undisputed success and impact of biomolecular crystallography on areas ranging from essential structural biology to therapeutic drug discovery or the study of molecular complexes of ever increasing size and beauty has brought with it new requirements for the education of students in the field. With the great power of modern crystallography comes great responsibility for its appropriate use, and a modern curriculum must extend beyond the delivery of required technical expertise. The complexity of macromolecular models and the sometimes low determinacy, combined with local variety in structure quality, requires that the student is provided with means of critical analysis and hypothesis testing that extend beyond classical validation, developing a mindset that remains robust against mental bias towards finding what one seeks. The increasing neglect of critical analysis and hypothesis testing in many undergraduate curricula requires that the modern crystallography curriculum itself addresses such fundamental analytical tools of the scientific method to avoid high-profile structure retractions that might tarnish the otherwise unrivalled contributions of macromolecular crystallography to our understanding of the molecular basis of life.
引用
收藏
页码:1242 / 1249
页数:8
相关论文
共 31 条
[1]   RETRACTED: The structure of complement C3b provides insights into complement activation and regulation (Retracted article. See vol. 532,2016) [J].
Ajees, A. Abdul ;
Gunasekaran, K. ;
Volanakis, John E. ;
Narayana, Sthanam. V. L. ;
Kotwal, Girish J. ;
Krishna Murthy, H. M. .
NATURE, 2006, 444 (7116) :221-225
[2]   Federated repositories of X-ray diffraction images [J].
Androulakis, Steve ;
Schmidberger, Jason ;
Bate, Mark A. ;
DeGori, Ross ;
Beitz, Anthony ;
Keong, Cyrus ;
Cameron, Bob ;
McGowan, Sheena ;
Porter, Corrine J. ;
Harrison, Andrew ;
Hunter, Jane ;
Martin, Jennifer L. ;
Kobe, Bostjan ;
Dobson, Renwick C. J. ;
Parker, Michael W. ;
Whisstock, James C. ;
Gray, Joan ;
Treloar, Andrew ;
Groenewegen, David ;
Dickson, Neil ;
Buckle, Ashley M. .
ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY, 2008, 64 :810-814
[3]  
[Anonymous], Philosophical Transactions of the Royal Society of London for, DOI DOI 10.1098/RSTL.1763.0053
[4]  
[Anonymous], 2003, Probability Theory
[5]  
[Anonymous], 1975, Against method: outline of an anarchistic theory of knowledge
[6]   In defence of our science - validation now! [J].
Baker, Edward N. ;
Dauter, Zbigniew ;
Einspahr, Howard ;
Weiss, Manfred S. .
ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY, 2010, 66 :115-115
[7]   The Protein Data Bank [J].
Berman, HM ;
Westbrook, J ;
Feng, Z ;
Gilliland, G ;
Bhat, TN ;
Weissig, H ;
Shindyalov, IN ;
Bourne, PE .
NUCLEIC ACIDS RESEARCH, 2000, 28 (01) :235-242
[8]   Substrate recognition strategy for botulinum neurotoxin serotype A [J].
Breidenbach, MA ;
Brunger, AT .
NATURE, 2004, 432 (7019) :925-929
[9]   Version 1.2 of the Crystallography and NMR system [J].
Brunger, Axel T. .
NATURE PROTOCOLS, 2007, 2 (11) :2728-2733
[10]   MolProbity: all-atom contacts and structure validation for proteins and nucleic acids [J].
Davis, Ian W. ;
Leaver-Fay, Andrew ;
Chen, Vincent B. ;
Block, Jeremy N. ;
Kapral, Gary J. ;
Wang, Xueyi ;
Murray, Laura W. ;
Arendall, W. Bryan, III ;
Snoeyink, Jack ;
Richardson, Jane S. ;
Richardson, David C. .
NUCLEIC ACIDS RESEARCH, 2007, 35 :W375-W383