Search Results - "Hooft, R. W. W."

Improving macromolecular electrostatics calculations by Nielsen, J. E., Andersen, K. V., Honig, B., Hooft, R. W. W., Klebe, G., Vriend, G., Wade, R. C.

“…Electrostatic interactions play a key role in many aspects of protein engineering. Consequently, much effort has been put into the design of software for…”
Get full text

The use of position-specific rotamers in model building by homology by Chinea, G, Padron, G, Hooft, R W, Sander, C, Vriend, G

“…In this study we concentrate on replacing side chains as a subtask of model building by homology. Two problems arise. How to determine potential low energy…”
Get more information

Objectively judging the quality of a protein structure from a Ramachandran plot by Hooft, Rob W.W., Sander, Chris, Vriend, Gerrit

“…Motivation Statistical methods that compare observed and expected distributions of experimental observables provide powerful tools for the quality control of…”
Get full text

PRODRG, a program for generating molecular topologies and unique molecular descriptors from coordinates of small molecules by van Aalten, D M, Bywater, R, Findlay, J B, Hendlich, M, Hooft, R W, Vriend, G

“…A software package is described that operates on small molecules observed in the PDB collection of protein structures. Molecular topology files for many…”
Get full text

The PDBFINDER database: a summary of PDB, DSSP and HSSP information with added value by Hooft, R.W.W., Sander, C., Scharf, M., Vriend, G.

“…Motivation The Protein Data Bank currently contains more than 4700 protein coordinate sets. It is often desirable to make a selection from these files based on…”
Get full text

series of PDB related databases for everyday needs by Joosten, Robbie P, te Beek, Tim A.H, Krieger, Elmar, Hekkelman, Maarten L, Hooft, Rob W.W, Schneider, Reinhard, Sander, Chris, Vriend, Gert

“…The Protein Data Bank (PDB) is the world-wide repository of macromolecular structure information. We present a series of databases that run parallel to the…”
Get full text

Positioning hydrogen atoms by optimizing hydrogen-bond networks in protein structures by Hooft, Rob W.W., Sander, Chris, Vriend, Gerrit

“…A method is presented that positions polar hydrogen atoms in protein structures by optimizing the total hydrogen bond energy. For this goal, an empirical…”
Get full text

Errors in protein structures by Hooft, Rob W. W, Vriend, Gert, Sander, Chris, Abola, Enrique E

Get full text

Accurate cells from area-detector images by Duisenberg, Albert J. M., Hooft, Rob W. W., Schreurs, Antoine M. M., Kroon, Jan

“…A procedure is described, for an Eulerian or Kappa goniostat, to determine the exact spindle value ϕ at the moment of impact of a reflection on an area…”
Get full text

The Bayesian approach to absolute structure determination by Hooft, R. W. W., Straver, L. H., Spek, A. L.

“…Abstract only…”
Get full text

The FAIR Funder pilot programme to make it easy for funders to require and for grantees to produce FAIR Data by Wittenburg, P, Sustkova, H. Pergl, Montesanti, A, Bloemers, S. M, de Waard, S. H, Musen, M. A, Graybeal, J. B, Hettne, K. M, Jacobsen, A, Pergl, R, Hooft, R. W. W, Staiger, C, van Gelder, C. W. G, Knijnenburg, S. L, van Arkel, A. C, Meerman, B, Wilkinson, M. D, Sansone, S-A, Rocca-Serra, P, McQuilton, P, Gonzalez-Beltran, A. N, Aben, G. J. C, Henning, P, Alencar, S, Ribeiro, C, Silva, C. R. L, Sayao, L, Sales, L, Veiga, V, Lima, J, Dib, S, Xavier, P, Murtinho, R, Tendel, J, Schaap, B. F, Brouwer, P. M, Gavai, A. K, Bouzembrak, Y, Marvin, H. J. P, Mons, A, Kuhn, T, Gambardella, A. A, Azevedo, R. de Miranda, Muhonen, V, van der Naald, M, Smit, N. W, Buys, M. J, de Bruin, T. F, Schoots, F, Goodson, H. J. E, Rzepa, H. S, Jeffery, K. G, Shanahan, H. P, Axton, M, Tkachenko, V, Maya, A. D, Meyers, N. K, Conlon, M, Haak, L. L, Schultes, E. A

“…There is a growing acknowledgement in the scientific community of the importance of making experimental data machine findable, accessible, interoperable, and…”
Get full text

Indexing and data processing of modulated structures on CCD detectors by van Meurs, F., Straver, L. H., Duisenberg, A. J. M., Schreurs, A. M. M., Hooft, R. W. W.

“…Abstract only…”
Get full text

New Bruker Nonius' integrated data collection and processing environment by Kaercher, J., Hooft, R. W. W., Lancaster, R. G., Leo, S. M., Leonard, A. J., Ruf, M.

“…Abstract only…”
Get full text

New indexing and data processing methods for the analysis of twinned crystals by Campana, C. F., Hooft, R. W. W., Straver, L. H., Chambers, J. L., Schreurs, A. M. M., Duisenberg, A. J. M.

“…Abstract only…”
Get full text

Molecular dynamics study of conformational and anomeric equilibria in aqueous D-glucose by van Eijck, Bouke P, Hooft, Rob W. W, Kroon, Jan

Get full text

The structure of 1,6-diazacyclododecane-7,12-dione, a cyclic monomeric model of polyamide 46 by Vulić, Ivan, Hooft, Rob W. W., Kroon, Jan

Get full text

Improved coordinate reconstruction from stereo diagrams by Hooft, Rob W.W., Vriend, Gerrit

“…A program has been written that reconstructs three-dimensional coordinates for a protein structure given a stereo C α diagram. Initial three-dimensional…”
Get full text

Low-temperature, high-resolution crystal structure study of tricyclo[3.3.1.13,7]decan-2-ol (adamantanol-2) by Kanters, Jan A., Hooft, Rob W. W., Duisenberg, Albert J. M.

Get full text