Sarah L. Price

发表

Hydrogen bonding of carbonyl, ether, and ester oxygen atoms with alkanol hydroxyl groups

Robin Taylor, Jos P. M. Lommerse, Sarah L. Price, 1997, J. Comput. Chem..

Sarah L. Price, S. Price, 2004 .

Relative binding orientations of adenosine A1 receptor ligands — A test case for Distributed Multipole Analysis in medicinal chemistry

Adriaan P. IJzerman, Sarah L. Price, Eleonora M. van der Wenden, 1995, J. Comput. Aided Mol. Des..

Theoretical Approaches to the Study of Non-Bonded Interactions

Sarah L. Price, 1999 .

The matching of electrostatic extrema: A useful method in drug design? A study of phosphodiesterase III inhibitors

Jeremy G. Vinter, J. G. Vinter, Sarah L. Price, 1995, J. Comput. Aided Mol. Des..

The orientation of N-H...O=C and N-H...N hydrogen bonds in biological systems: How good is a point charge as a model for a hydrogen bonding atom?

Sarah L. Price, Robert P. Apaya, Maria Bondí, 1997, J. Comput. Aided Mol. Des..

The Nature and Geometry of Intermolecular Interactions: Combination of 3D‐Database Information with Theoretical Tools

Robin Taylor, Frank H. Allen, Jos P. M. Lommerse, 2007 .

Can computed crystal energy landscapes help understand pharmaceutical solids?

Sarah L. Price, Doris E. Braun, Susan M. Reutzel-Edens, 2016, Chemical communications.

Can vibrational, mechanical, and morphological calculations aid in polymorph prediction?

Graeme M. Day, Sarah L. Price, 2002 .

Crystal structure predictions for acetic acid

Jan Kroon, Bouke P. van Eijck, Sarah L. Price, 1998, J. Comput. Chem..

Grid Service Orchestration Using the Business Process Execution Language (BPEL)

Liang Chen, Wolfgang Emmerich, Sarah L. Price, 2005, Journal of Grid Computing.

On the representation of electrostatic fields around ab initio charge distributions

Sarah L. Price, Nigel G. J. Richards, 1991, J. Comput. Aided Mol. Des..

On the electrostatic and steric similarity of lactam compounds and the natural substrate for bacterial cell-wall biosynthesis

Sarah L. Price, Juan Frau, S. Price, 1996, J. Comput. Aided Mol. Des..

Crystal Structure Prediction and Polymorphism - Some Mutual Insights.

Sarah L. Price, B Patel, P Prinhanani-Jethani, 2004 .

The effect of basis set and electron correlation on the predicted electrostatic interactions of peptides

Sarah L. Price, Roger D. Amos, C. W. Murray, 1992 .

Toward a molecular understanding of crystal agglomeration

F Pratola, Sarah L. Price, Stefaan J. R. Simons, 2005 .

Towards crystal structure prediction of complex organic compounds – a report on the fifth blind test

Claire S. Adjiman, Julio C. Facelli, Constantinos C. Pantelides, 2011, Acta crystallographica. Section B, Structural science.

A distributed multipole analysis of the charge densities of some aromatic hydrocarbons

Sarah L. Price, S. Price, 1985 .

Applications of realistic electrostatic modelling to molecules in complexes, solids and proteins

Sarah L. Price, S. Price, 1996 .

Energy minimization of crystal structures containing flexible molecules

Sarah L. Price, Panagiotis G. Karamertzanis, P. Karamertzanis, 2006 .

Explicit formulae for the electrostatic energy, forces and torques between a pair of molecules of arbitrary symmetry

M. Alderton, Sarah L. Price, Anthony J. Stone, 1984 .

Role of electrostatic interactions in determining the crystal structures of polar organic molecules. A distributed multipole study

Sarah L. Price, Maurice Leslie, David S. Coombes, 1996 .

The electrostatic interactions in van der Waals complexes involving aromatic molecules

Sarah L. Price, Anthony J. Stone, A. Stone, 1987 .

Predictions of Crystal Packings for Uracil, 6-Azauracil, and Allopurinol: The Interplay between Hydrogen Bonding and Close Packing

Sarah L. Price, Keith S. Wibley, 1997 .

The nature of the N  H…︁OC hydrogen bond: An intermolecular perturbation theory study of the formamide/formaldehyde complex

John B. O. Mitchell, Sarah L. Price, S. Price, 1990 .

FACTORS INFLUENCING SOLID-STATE STRUCTURE - AN ANALYSIS USING PSEUDOPOTENTIAL RADII STRUCTURAL MAPS

Geoffrey D. Price, Sarah L. Price, G. D. Price, 1981 .

Possible binding orientations of β-lactams within Staphylococcus aureus PC1 β-lactamase suggest factors involved in β-lactamase resistance

Sarah L. Price, J. Frau, 1996 .

What base pairings can occur in DNA? A distributed multipole study of the electrostatic interactions between normal and alkylated nucleic acid bases

Julia M. Goodfellow, Sarah L. Price, Fabrizio Lo Celso, 1993 .

Role of the crystal-field theory in determining the structures of spinels

Geoffrey D. Price, Sarah L. Price, G. D. Price, 1982 .

Exploring the Experimental and Computed Crystal Energy Landscape of Olanzapine

Iain D. H. Oswald, Alastair J. Florence, Blair F. Johnston, 2013 .

A first principles prediction of the crystal structure of C6Br2ClFH2

Sarah L. Price, Alston J. Misquitta, Anthony J. Stone, 2008 .

Toward More Accurate Model Intermolecular Potentials for Organic Molecules

Sarah L. Price, S. Price, 2007 .

A systematic intermolecular potential method applied to chlorine

Sarah L. Price, Richard J. Wheatley, S. Price, 1990 .

Calculation of Attachment Energies and Relative Volume Growth Rates As an Aid to Polymorph Prediction

Julian D. Gale, C. Richard A. Catlow, Sarah L. Price, 2005 .

On the relative strengths of amide…amide and amide…water hydrogen bonds

John B. O. Mitchell, Sarah L. Price, S. Price, 1991 .

Toward Crystal Structure Prediction for Conformationally Flexible Molecules: The Headaches Illustrated by Aspirin

Sarah L. Price, S. Price, Carole Ouvrard and, 2004 .

Report on the sixth blind test of organic crystal structure prediction methods

Claire S. Adjiman, Julio C. Facelli, Sanjaya Lohani, 2016, Acta crystallographica Section B, Structural science, crystal engineering and materials.

Electrostatic models for polypeptides: can we assume transferability?

Sarah L. Price, Anthony J. Stone, A. Stone, 1992 .

SOME NEW IDEAS IN THE THEORY OF INTERMOLECULAR FORCES - ANISOTROPIC ATOM ATOM POTENTIALS

Sarah L. Price, Anthony J. Stone, A. Stone, 1988 .

A TRANSFERABLE DISTRIBUTED MULTIPOLE MODEL FOR THE ELECTROSTATIC INTERACTIONS OF PEPTIDES AND AMIDES

Sarah L. Price, S. Price, C. Faerman, 1990 .

Quantifying intermolecular interactions and their use in computational crystal structure prediction

Sarah L. Price, S. Price, 2004 .

A six-site anisotropic atom-atom potential model for the condensed phases of benzene

Sarah L. Price, I. R. Mcdonald, S. Price, 1988 .

Toward accurate transferable electrostatic models for polypeptides: A distributed multipole study of blocked amino acid residue charge distributions

Sarah L. Price, S. Price, C. Faerman, 1991 .

A DISTRIBUTED MULTIPOLE ANALYSIS OF THE CHARGE-DENSITIES OF THE AZABENZENE MOLECULES

Sarah L. Price, Anthony J. Stone, A. Stone, 1983 .

Which organic crystal structures are predictable by lattice energy minimisation?Electronic supplementary information (ESI) available: downloadable version of Table 2. See http://www.rsc.org/suppdata/ce/b1/b108135g/

T. C. Lewis, Sarah L. Price, Thomas C. Lewis, 2001 .

Elastic Constant Calculations for Molecular Organic Crystals

Graeme M. Day, Sarah L. Price, Maurice Leslie, 2001 .

Hydrogen bonding properties of oxygen and nitrogen acceptors in aromatic heterocycles

Robin Taylor, Irene Nobeli, Jos P. M. Lommerse, 1997 .