Literature DB >> 27001050

Statistics in molecular modeling: a summary.

Anthony Nicholls1.   

Abstract

Mesh：

Year:  2016        PMID： 27001050     DOI： 10.1007/s10822-016-9907-2

Source DB:  PubMed          Journal:  J Comput Aided Mol Des        ISSN： 0920-654X            Impact factor:   3.686


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  10 in total

1.  Presenting data in such a fashion that they can be used by other scientists.

Authors:  J Peter Guthrie
Journal:  J Comput Aided Mol Des       Date:  2015-09-22       Impact factor: 3.686

2.  The statistics of virtual screening and lead optimization.

Authors:  Mark McGann; Anthony Nicholls; Istvan Enyedy
Journal:  J Comput Aided Mol Des       Date:  2015-10       Impact factor: 3.686

3.  Euclidean chemical spaces from molecular fingerprints: Hamming distance and Hempel's ravens.

Authors:  Eric Martin; Eddie Cao
Journal:  J Comput Aided Mol Des       Date:  2014-12-05       Impact factor: 3.686

4.  Assessment of uncertainty in chemical models by Bayesian probabilities: Why, when, how?

Authors:  Ullrika Sahlin
Journal:  J Comput Aided Mol Des       Date:  2014-12-10       Impact factor: 3.686

5.  Count on kappa.

Authors:  Paul Czodrowski
Journal:  J Comput Aided Mol Des       Date:  2014-07-11       Impact factor: 3.686

6.  Fitting and handling dose response data.

Authors:  Gareth Jones
Journal:  J Comput Aided Mol Des       Date:  2014-07-01       Impact factor: 3.686

7.  Confidence limits, error bars and method comparison in molecular modeling. Part 1: the calculation of confidence intervals.

Authors:  A Nicholls
Journal:  J Comput Aided Mol Des       Date:  2014-06-05       Impact factor: 3.686

8.  Modeling error in experimental assays using the bootstrap principle: understanding discrepancies between assays using different dispensing technologies.

Authors:  Sonya M Hanson; Sean Ekins; John D Chodera
Journal:  J Comput Aided Mol Des       Date:  2015-12-17       Impact factor: 3.686

9.  Benefits of statistical molecular design, covariance analysis, and reference models in QSAR: a case study on acetylcholinesterase.

Authors:  C David Andersson; J Mikael Hillgren; Cecilia Lindgren; Weixing Qian; Christine Akfur; Lotta Berg; Fredrik Ekström; Anna Linusson
Journal:  J Comput Aided Mol Des       Date:  2014-10-29       Impact factor: 3.686

10.  Confidence limits, error bars and method comparison in molecular modeling. Part 2: comparing methods.

Authors:  A Nicholls
Journal:  J Comput Aided Mol Des       Date:  2016-03-04       Impact factor: 3.686
  10 in total
  1 in total

1.  Characterization of Promiscuous Binding of Phosphor Ligands to Breast-Cancer-Gene 1 (BRCA1) C-Terminal (BRCT): Molecular Dynamics, Free Energy, Entropy and Inhibitor Design.

Authors:  Wanli You; Yu-Ming M Huang; Smitha Kizhake; Amarnath Natarajan; Chia-En A Chang
Journal:  PLoS Comput Biol       Date:  2016-08-25       Impact factor: 4.475
  1 in total

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