Reviews in Computational Chemistry Volume 18
Reviews in Computational Chemistry Volume 18
Reviews in Computational Chemistry Volume 18
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<strong>Volume</strong> 11 (1997)<br />
Mark A. Murcko, Recent Advances <strong>in</strong> Ligand Design Methods.<br />
David E. Clark,* Christopher W. Murray, and J<strong>in</strong> Li, Current Issues <strong>in</strong> De<br />
Novo Molecular Design.<br />
Tudor I. Oprea y and Chris L. Waller, Theoretical and Practical Aspects of<br />
Three-Dimensional Quantitative Structure–Activity Relationships.<br />
Giovanni Greco, Ettore Novell<strong>in</strong>o, and Yvonne Connolly Mart<strong>in</strong>, Approaches<br />
to Three-Dimensional Quantitative Structure–Activity Relationships.<br />
Pierre-Ala<strong>in</strong> Carrupt, Bernard Testa, and Patrick Gaillard, <strong>Computational</strong><br />
Approaches to Lipophilicity: Methods and Applications.<br />
Ganesan Ravishanker, Pascal Auff<strong>in</strong>ger, David R. Langley, Bhyravabhotla<br />
Jayaram, Matthew A. Young, and David L. Beveridge, Treatment of Counterions<br />
<strong>in</strong> Computer Simulations of DNA.<br />
Donald B. Boyd, Appendix: Compendium of Software and Internet Tools for<br />
<strong>Computational</strong> <strong>Chemistry</strong>.<br />
<strong>Volume</strong> 12 (1998)<br />
Contributors to Previous <strong>Volume</strong>s xxv<br />
Hagai Meirovitch, z Calculation of the Free Energy and the Entropy of<br />
Macromolecular Systems by Computer Simulation.<br />
Ramzi Kutteh and T. P. Straatsma, Molecular Dynamics with General<br />
Holonomic Constra<strong>in</strong>ts and Application to Internal Coord<strong>in</strong>ate Constra<strong>in</strong>ts.<br />
John C. Shelley } and Daniel R. Bérard, Computer Simulation of Water<br />
Physisorption at Metal–Water Interfaces.<br />
*Current address: Computer-Aided Drug Design, Argenta Discovery Ltd., 8/9 Spire Green<br />
Centre, Flex Meadow, Harlow, Essex, CM19 5TR, United K<strong>in</strong>gdom (Electronic mail:<br />
david.clark@argentadiscovery.com).<br />
y Current address: Office of Biocomput<strong>in</strong>g, University of New Mexico School of<br />
Medic<strong>in</strong>e, 915 Cam<strong>in</strong>o de Salud NE, Albuquerque, New Mexico 87131 (Electronic mail:<br />
toprea@salud.unm.edu).<br />
z Current address: Department of Molecular Genetics & Biochemistry, School of Medic<strong>in</strong>e,<br />
University of Pittsburgh, Pittsburgh, Pennsylvania 15213 (Electronic mail: hagaim@pitt.<br />
edu).<br />
} Current address: Schröd<strong>in</strong>ger, Inc., 1500 S.W. First Avenue, Suite 1<strong>18</strong>0, Portland, Oregon<br />
97201 (Electronic mail: jshelley@schrod<strong>in</strong>ger.com).