Feldmann, Richard

Figure 7.2 Three helical forms of DNA, each containing 22 nucleotide pairs, shown in both side and top views. The sugar-phosphate backbone is dark the paired nucleotide bases are light, (a) B-DNA, which is the most common form in cells, (b) A-DNA, which is obtained under dehydrated nonphysiological conditions. Notice the hole along the helical axis in this form, (c) Z-DNA, which can be formed by certain DNA sequences under special circumstances. (Courtesy of Richard Feldmann.)...

FlC. 64. The tightly associated domains (one shown light and the other dark) of elastase. Figures 64 through 66 use a space-filling representation with a sphere around each a-carbon position they were photographed from Richard Feldmann s molecular graphics display at the National Institutes of Health. 

I am especially grateful to David Richardson for, among other things, the meticulous technical photography to Richard Feldmann for extensive use of his molecular display system and to Chris Aniinsen for suggesting that this article be written. 

Examples of studies of local conformational dynamics include the films made by Richard Feldmann, in collaboration with M. Levitt and with M. Karplus, which show the dynamics of pancreatic trypsin inhibitor and its interaction with solvent, and the study by Case and Karplus of the pathway by which an oxygen molecule can enter and leave the binding pocket of myoglobin (31). (In the static structure, there is no stereochemically feasible path for binding oxygen — the process requires a distortion of the protein structure.)... 

The continuous enoouragement by Professor Ugi is greatly appreciated. Able students -Oliver Dammer, Erika Diener-Weselsky, Peter Jacob, Manfred Oswald, and Josef Thoma — worked on various programming projects our thanks is extended to them. The structure drawing program is based on concepts developed by Dr, Richard Feldmann of NIH and was extensively modified and expanded here by Wolfgang Schubert, and Josef Thoma. Helpful discussions with Josef Friedrich and Wolfgang Schubert are appreciated. 

The author is indebted to Mr. Richard J. Feldmann from the Division of Computer Research and Technology and to Dr. Eduardo A. Padlan and Manuel Navia, NIH, for preparing the stereo figures of the CDR of the light and heavy chains and of the four known antibody combining sites to Drs. D. R. Davies and E. A. Padlan, NIH, and to Drs. Raymond Dwek and P. Gettins, Oxford University, for the coordinates of the two proposed models of the anti-DNP site from which the stereo figures were made and to Dr. Jay L. Bock of the University of Pennsylvania for evaluation of the NMR data. 

We had to thank Todd Wipke, Steve Heller, Richard Feldmann and Ernie Hyde for their wisdom and foresight in organising the 1973 conference at such a timely juncture, and with such valuable results - not least through publication of the papers given at it in the form of the proceedings which have become a working source for everyone in the field since then. That conference and its record provide me with a baseline in time, to review what has developed in the intervening time, so that we can also look forward to see what is in prospect. 

Substructure searching methods, then as now, retain pride of place in interest. Here, the advances are especially strongly evident many of the papers this week report on the operations of in-house and public structure and data retrieval systems, now very widespread in industry. Fourteen years ago, the ICI and BASF systems were two of a few operational search systems in industry, with Richard Feldmann s forerunner of the Chemical Information System(CIS) at the National Institutes of Health. The ICI CROSSBOW system, though, depended for some of its functions on the use of notations at the user interface, which restricted its use somewhat, as chemists wereunwilling to learn to encode structures for input. The performance of the BASF system was remarkable for the time, yet had already been in operation for over five years, and even included some generic structure storage and search capabilities. 

A rather different approach to substructure searching is used by at least two systems. One of these is the Chemical Information System (CIS) developed by Richard Feldmann and his colleagues at the National Cancer Institute, and its various off-shoots which include the Chemical Databank System (CDS) at the SERC Laboratory in Daresbury. The other is the Hierarchic Tree Substructure Search (HTSS) developed in Hungary. ... 

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