K. Pencheva

发表

De-risking early stage drug development with a bespoke lattice energy predictive model: A materials science informatics approach to address challenges associated with a diverse chemical space.

R. Docherty, Ernest Chow, Tiffany Lai, 2019, Journal of pharmaceutical sciences.

Low solubility in drug development: de‐convoluting the relative importance of solvation and crystal packing

R. Docherty, Y. Abramov, K. Pencheva, 2015, The Journal of pharmacy and pharmacology.

Quantifying solubility enhancement due to particle size reduction and crystal habit modification: case study of acetyl salicylic acid.

Tony Auffret, Klimentina Pencheva, K. Roberts, 2007, Journal of pharmaceutical sciences.

An examination of polymorphic stability and molecular conformational flexibility as a function of crystal size associated with the nucleation and growth of benzophenone.

K. Roberts, R. Hammond, K. Pencheva, 2007, Faraday discussions.

Drug-Excipient Interactions in the Solid State: The Role of Different Stress Factors.

Margaret S. Landis, Geoffrey P. F. Wood, J. Khinast, 2017, Molecular pharmaceutics.

Structural variability within, and polymorphic stability of, nano-crystalline molecular clusters of L-glutamic acid and D-mannitol, modelled with respect to their size, shape and ‘crystallisability’

K. Roberts, R. Hammond, K. Pencheva, 2012 .

Simulation of energetic stability of facetted l-glutamic acid nanocrystalline clusters in relation to their polymorphic phase stability as a function of crystal size.

K. Roberts, R. Hammond, K. Pencheva, 2005, Journal of Physical Chemistry B.

Formulation pre-screening of inhalation powders using computational atom-atom systematic search method.

M. Soufian, K. Roberts, R. Hammond, 2015, Molecular pharmaceutics.

An examination of binding motifs associated with inter-particle interactions between facetted nano-crystals of acetylsalicylic acid and ascorbic acid through the application of molecular grid-based search methods.

K. Roberts, R. Hammond, T. Auffret, 2009, Journal of pharmaceutical sciences.

Application of COSMO-RS as an excipient ranking tool in early formulation development.

Agnieszka Pozarska, Mei Wong, K. Pencheva, 2013, European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences.

THERMODYNAMICS AND RELATIVE SOLUBILITY PREDICTION OF POLYMORPHIC SYSTEMS

Y. Abramov, K. Pencheva, 2010, Chemical Engineering in the Pharmaceutical Industry.

Integrating Computational Materials Science Tools in Form and Formulation Design

Aurora J. Cruz-Cabeza, Klimentina Pencheva, Joseph F. Krzyzaniak, 2016 .

Application of grid-based molecular methods for modeling solvent-dependent crystal growth morphology : Aspirin crystallized from aqueous ethanolic solution

Kevin J. Roberts, Robert B. Hammond, Klimentina Pencheva, 2007 .

Evaluation of Force-Field Calculations of Lattice Energies on a Large Public Dataset, Assessment of Pharmaceutical Relevance, and Comparison to Density Functional Theory

Kevin J. Roberts, Chris Morris, Andrew G. P. Maloney, 2019, J. Chem. Inf. Model..

Molecular Modeling of Crystal−Crystal Interactions between the α- and β-Polymorphic Forms of l-Glutamic Acid Using Grid-Based Methods

K. Roberts, R. Hammond, K. Pencheva, 2007 .

An examination of the thermal expansion of urea using high-resolution variable-temperature X-ray powder diffraction

K. Roberts, P. Mougin, D. Wilkinson, 2005 .