S. Price

John B. O. Mitchell, David T. Jones, J. Thornton, 1993, Philosophical Transactions of the Royal Society of London. Series A: Physical and Engineering Sciences.

Towards an understanding of the arginine-aspartate interaction.

J M Thornton, J. Thornton, Juswinder Singh, 1992, Journal of molecular biology.

The origin of the incommensurate phase III of biphenyl

V. Heine, S. Price, 1985 .

Calculation of Diamagnetic Susceptibility Tensors of Organic Crystals: From Coronene to Pharmaceutical Polymorphs

S. Price, L. Price, Rui Guo, 2020, The journal of physical chemistry. A.

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

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

A non-empirical intermolecular force-field for trinitrobenzene and its application in crystal structure prediction.

S. Price, A. Misquitta, Alexander A. Aina, 2021, The Journal of chemical physics.

Crystal structure prediction of small organic molecules: a second blind test.

Sarah L Price, Paul Verwer, Bernd Schweizer, 2002, Acta crystallographica. Section B, Structural science.

Crystal structure predictions for acetic acid

Jan Kroon, Paul Verwer, W. Mooij, 1998, J. Comput. Chem..

Testing a Variety of Electronic-Structure-Based Methods for the Relative Energies of 5-Formyluracil Crystals.

M. Habgood, S. Price, G. Portalone, 2011, Journal of chemical theory and computation.

On the electrostatic directionality of NH…OC hydrogen bonding

S. Price, J. Mitchell, J.B.O. Mitchell, 1989 .

Direct observation of templated two-step nucleation mechanism during olanzapine hydrate formation

S. Price, D. Lamprou, A. Florence, 2017 .

Modelling the interactions of protein side-chains

John B. O. Mitchell, J. Thornton, S. Price, 1995 .

A molecular picture of the problems in ensuring structural purity of tazofelone

J. McMahon, S. Price, S. Lau, 2014 .

A predicted dimer-based polymorph of 10,11-dihydrocarbamazepine (Form IV)

Gary J. Miller, S. Price, A. Florence, 2010 .

Can the Formation of Pharmaceutical Cocrystals Be Computationally Predicted? 2. Crystal Structure Prediction.

Sarah L Price, Panagiotis G Karamertzanis, C. Adjiman, 2009, Journal of chemical theory and computation.

An automated parallel crystallisation search for predicted crystal structures and packing motifs of carbamazepine.

S. Price, H. Nowell, A. Florence, 2006, Journal of pharmaceutical sciences.

Computational prediction and X-ray determination of the crystal structures of 3-oxauracil and 5-hydroxyuracil—an informal blind test

T. C. Lewis, S. Price, R. Copley, 2005 .

Quantifying intermolecular interactions and their use in computational crystal structure prediction

Sarah L. Price, S. Price, 2004 .

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..

A comparison of three theoretical approaches to the study of side-chain interactions in proteins

John B. O. Mitchell, J. Thornton, Juswinder Singh, 1993 .

On the Application of Strong Magnetic Fields during Organic Crystal Growth

S. Price, C. Hall, Jason Potticary, 2021, Crystal Growth & Design.

Control and prediction of the organic solid state: a challenge to theory and experiment†

S. Price, 2018, Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences.

The potential of computed crystal energy landscapes to aid solid-form development.

Sarah L Price, Susan M Reutzel-Edens, S. Price, 2016, Drug discovery today.

Crystal Energy Landscapes for Aiding Crystal Form Selection

S. Price, 2015 .

Lattice energy, nailed?

S. Price, 2014, Science.

The representation of molecular electrostatics using interactive graphics

N. Richards, S. Price, 2009 .

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 .

Ab initio and diffusion Monte Carlo study of uracil–water, thymine–water, cytosine–water, and cytosine–(water)2

D. Clary, S. Price, D. Benoit, 2000 .

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

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

The crystal structures of chloro and methylortho-benzoic acids and their co-crystal: rationalizing similarities and differences

D. Braga, F. Grepioni, P. Karamertzanis, 2008 .

Electrostatic models for polypeptides: can we assume transferability?

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

On the inversion of thermophysical properties generated from anisotropic potential energy functions

D. Tildesley, S. Price, E. Smith, 1980 .

Modelling organic crystal structures using distributed multipole and polarizability-based model intermolecular potentials.

Sarah L Price, Panagiotis G Karamertzanis, Matthew Habgood, 2010, Physical chemistry chemical physics : PCCP.

Accurate Induction Energies for Small Organic Molecules. 2. Development and Testing of Distributed Polarizability Models against SAPT(DFT) Energies.

Sarah L Price, Anthony J Stone, A. Stone, 2008, Journal of chemical theory and computation.

A Systematic Nonempirical Method of Deriving Model Intermolecular Potentials for Organic Molecules: Application To Amides

S. Price, John B. O. Mitchell† and, 2000 .

Use of molecular overlap to predict intermolecular repulsion in N ··· H—O hydrogen bonds

S. Price, I. Nobeli, R. Wheatley, 1998 .

The Crystal Structure of 5‐Aminouracil and the Ambiguity of Alternative Polymorphs #

Taylor A. Watts, S. Price, Jeffery A. Bertke, 2021, Israel Journal of Chemistry.

Thermal Expansion of Carbamazepine: Systematic Crystallographic Measurements Challenge Quantum Chemical Calculations.

S. Price, J. Brandenburg, Jason Potticary, 2017, The journal of physical chemistry letters.

The solid state forms of the sex hormone 17-β-estradiol

A. Buanz, S. Price, D. Tocher, 2019, CrystEngComm.

The factors influencing solid state structure — A modern Mendeleyevian answer

G. D. Price, S. Price, J. Burdett, 1981 .

Heats of reaction in the solid state and their relationship to Bloch-Zunger structural diagrams

S. Price, J. Burdett, 1981 .

The thermal stability of lattice-energy minima of 5-fluorouracil: metadynamics as an aid to polymorph prediction.

Michele Parrinello, Sarah L Price, Panagiotis G Karamertzanis, 2008, The journal of physical chemistry. B.

Analysis of the conformational profiles of fenamates shows route towards novel, higher accuracy, force-fields for pharmaceuticals.

Sarah L Price, Peter T. A. Galek, S. Price, 2015, Physical chemistry chemical physics : PCCP.

Toward Physics-Based Solubility Computation for Pharmaceuticals to Rival Informatics

John B. O. Mitchell, David S. Palmer, S. Price, 2021, Journal of chemical theory and computation.

On the Calculation and Interpretation of Crystal Energy Landscapes

S. Price, 2008 .

The unexpected but predictable tetrazole packing in flexible 1-benzyl-1H-tetrazole

J. Deadman, S. Price, L. Male, 2012 .

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 .

Solvent interactions with pi ring systems in proteins.

J. Goodfellow, S. Price, J. Walshaw, 1995, Protein engineering.

Serendipitous isolation of a disappearing conformational polymorph of succinic acid challenges computational polymorph prediction

N. Blagden, S. Price, M. Salvalaglio, 2018 .

Racemic progesterone: predicted in silico and produced in the solid state.

P. Karamertzanis, S. Price, D. Covey, 2006, Chemical communications.

Energy minimization of crystal structures containing flexible molecules

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

Crystallization and crystal energy landscape of hydrochlorothiazide

K. Shankland, S. Price, A. Florence, 2007 .

The errors in lattice energy minimisation studies: sensitivity to experimental variations in the molecular structure of paracetamol

S. Price, T. Beyer, 2000 .

Spontaneous Resolution of Enantiomers by Crystallization: Insights from Computed Crystal Energy Landscapes

P. Karamertzanis, S. Price, E. D'oria, 2010 .

Diffusion Monte Carlo simulations on uracil-water using an anisotropic atom-atom potential model.

D. Clary, S. Price, T. van Mourik, 2001, Faraday discussions.

Isomorphous template induced crystallisation: a robust method for the targeted crystallisation of computationally predicted metastable polymorphs.

S. Price, A. Florence, Vijay K. Srirambhatla, 2016, Chemical communications.

Understanding crystal nucleation mechanisms: where do we stand? General discussion.

R. Grossier, S. Veesler, K. Roberts, 2022, Faraday discussions.

Solvent and additive interactions as determinants in the nucleation pathway: general discussion.

Changquan Calvin Sun, S. Schroeder, M. Mazzotti, 2015, Faraday discussions.

Molecular self-assembly and clustering in nucleation processes: general discussion.

S. Schroeder, M. Mazzotti, S. Veesler, 2015, Faraday discussions.

Concomitant conformational dimorphism in 1,2-bis(9-anthryl)acetylene

S. Price, R. Goldstein, Thomas J Sisto, 2015 .

Significant progress in predicting the crystal structures of small organic molecules--a report on the fourth blind test.

Tejender S. Thakur, Jeffrey S. Tan, H. Scheraga, 2009, Acta crystallographica. Section B, Structural science.

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 Prolific Solvate Former, Galunisertib, Under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs.

J. McMahon, S. Price, C. Pulham, 2019, Journal of the American Chemical Society.

Computational prediction of salt and cocrystal structures--does a proton position matter?

S. Price, D. Tocher, S. Mohamed, 2011, International journal of pharmaceutics.

From crystal structure prediction to polymorph prediction: interpreting the crystal energy landscape.

S. Price, 2008, Physical chemistry chemical physics : PCCP.

Carbonic acid: from polyamorphism to polymorphism.

S. Price, E. Mayer, K. Winkel, 2007, Journal of the American Chemical Society.

Amino/aromatic interactions

John B. O. Mitchell, J. Thornton, Juswinder Singh, 1993, Nature.

Is zeroth order crystal structure prediction (CSP_0) coming to maturity? What should we aim for in an ideal crystal structure prediction code?

S. Price, 2018, Faraday discussions.

Crystal Structure Prediction

Sarah L. Price, S. Price, 2004 .

The potential of computed crystal energy landscapes to aid solid-form development.

S. Price, S. Reutzel-Edens, 2016, Drug discovery today.

Anisotropic intermolecular potentials for nitrogen determined from second virial and shear viscosity coefficient data

S. Price, 1981 .

An interpretation of structural sorting diagrams for AB type compounds using molecular orbital ideas

S. Price, J. Burdett, 1982 .

Strathprints Institutional Repository Search for a Predicted Hydrogen Bonding Motif -a Multidisciplinary Investigation into the Polymorphism of 3-azabicyclo[3.3.1]nonane-2,4-dione

K. Shankland, S. Price, A. Florence, 2022 .

Application of Woodward-Hoffmann ideas to solid-state polymorphic phase transitions with specific reference to polymerization of S 2 N 2 and the black phosphorus to A 7 (arsenic) structural transformation

S. Price, J. Burdett, 1982 .

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..

Analysis of the conformational profiles of fenamates shows route towards novel, higher accuracy, force-fields for pharmaceuticals.

Peter T. A. Galek, S. Price, O. G. Uzoh, 2015, Physical chemistry chemical physics : PCCP.

Dynamics in crystals of rigid organic molecules: contrasting the phonon frequencies calculated by molecular dynamics with harmonic lattice dynamics for imidazole and 5-azauracil

G. Day, S. Price, M. Leslie, 2004 .

Siderophore-mediated zinc acquisition enhances enterobacterial colonization of the inflamed gut

Allegra T. Aron, Eric P. Skaar, P. Dorrestein, 2021, Nature Communications.