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

по Price, Sarah L.
Опубликовано в: Proc Math Phys Eng Sci (2018)

Which, if any, hydrates will crystallise? Predicting hydrate formation of two dihydroxybenzoic acids

по Braun, Doris E., Karamertzanis, Panagiotis G., Price, Sarah L.
Опубликовано 2011

Can computed crystal energy landscapes help understand pharmaceutical solids?

по Price, Sarah L., Braun, Doris E., Reutzel-Edens, Susan M.
Опубликовано в: Chem Commun (Camb) (2016)

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

по Guo, Rui, Uddin, M. Nadia, Price, Louise S., Price, Sarah L.
Опубликовано в: J Phys Chem A (2020)

The Complexity of Hydration of Phloroglucinol: A Comprehensive Structural and Thermodynamic Characterization

по Braun, Doris E., Tocher, Derek A., Price, Sarah L., Griesser, Ulrich J.
Опубликовано 2012

Charge Distributions of Nitro Groups Within Organic Explosive Crystals: Effects on Sensitivity and Modeling

по Aina, Alexander A., Misquitta, Alston J., Phipps, Maximillian J. S., Price, Sarah L.
Опубликовано в: ACS Omega (2019)

Toward Physics-Based Solubility Computation for Pharmaceuticals to Rival Informatics

по Fowles, Daniel J., Palmer, David S., Guo, Rui, Price, Sarah L., Mitchell, John B. O.
Опубликовано в: J Chem Theory Comput (2021)

Complex Polymorphic System of Gallic Acid—Five Monohydrates, Three Anhydrates, and over 20 Solvates

по Braun, Doris E., Bhardwaj, Rajni M., Florence, Alastair J., Tocher, Derek A., Price, Sarah L.
Опубликовано 2012

Continuous, real-time bioimaging of chemical bioavailability and toxicology using autonomously bioluminescent human cell lines

по Xu, Tingting, Close, Dan M., Webb, James D., Price, Sarah L., Ripp, Steven A., Sayler, Gary S.
Опубликовано в: Proc SPIE Int Soc Opt Eng (2013)

Navigating the Waters of Unconventional Crystalline Hydrates

по Braun, Doris E., Koztecki, Lien H., McMahon, Jennifer A., Price, Sarah L., Reutzel-Edens, Susan M.
Опубликовано в: Mol Pharm (2015)

Unraveling Complexity in the Solid Form Screening of a Pharmaceutical Salt: Why so Many Forms? Why so Few?

по Braun, Doris E., Lingireddy, Sreenivas R., Beidelschies, Mark D., Guo, Rui, Müller, Peter, Price, Sarah L., Reutzel-Edens, Susan M.
Опубликовано в: Cryst Growth Des (2017)

Dual Role of Novel Ingenol Derivatives from Euphorbia tirucalli in HIV Replication: Inhibition of De Novo Infection and Activation of Viral LTR

по Abreu, Celina M., Price, Sarah L., Shirk, Erin N., Cunha, Rodrigo D., Pianowski, Luiz F., Clements, Janice E., Tanuri, Amilcar, Gama, Lucio
Опубликовано 2014

Solid-State Forms of β-Resorcylic Acid: How Exhaustive Should a Polymorph Screen Be?

по Braun, Doris E., Karamertzanis, Panagiotis G., Arlin, Jean-Baptiste, Florence, Alastair J., Kahlenberg, Volker, Tocher, Derek A., Griesser, Ulrich J., Price, Sarah L.
Опубликовано 2010

Absorbing a Little Water: The Structural, Thermodynamic, and Kinetic Relationship between Pyrogallol and Its Tetarto-Hydrate

по Braun, Doris E., Bhardwaj, Rajni M., Arlin, Jean-Baptiste, Florence, Alastair J., Kahlenberg, Volker, Griesser, Ulrich J., Tocher, Derek A., Price, Sarah L.
Опубликовано 2013

Unique intrahepatic transcriptomics profiles discriminate the clinical phases of a chronic HBV infection

по Hou, Jun, Brouwer, Willem P., Kreefft, Kim, Gama, Lucio, Price, Sarah L., Janssen, Harry L. A., French, Pim J., Vanwolleghem, Thomas, Boonstra, Andre
Опубликовано в: PLoS One (2017)

Quantitation of Productively Infected Monocytes and Macrophages of Simian Immunodeficiency Virus-Infected Macaques

по Avalos, Claudia R., Price, Sarah L., Forsyth, Ellen R., Pin, Julia N., Shirk, Erin N., Bullock, Brandon T., Queen, Suzanne E., Li, Ming, Gellerup, Dane, O'Connor, Shelby L., Zink, M. Christine, Mankowski, Joseph L., Gama, Lucio, Clements, Janice E.
Опубликовано в: J Virol (2016)

Reactivation of simian immunodeficiency virus reservoirs in the brain of virally suppressed macaques

по Gama, Lucio, Abreu, Celina M., Shirk, Erin N., Price, Sarah L., Li, Ming, Laird, Greg M., Pate, Kelly A. Metcalf, Wietgrefe, Stephen W., O’Connor, Shelby L., Pianowski, Luiz, Haase, Ashley T., Van Lint, Carine, Siliciano, Robert F., Clements, Janice E.
Опубликовано в: AIDS (2017)

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

по Bardwell, David A., Adjiman, Claire S., Arnautova, Yelena A., Bartashevich, Ekaterina, Boerrigter, Stephan X. M., Braun, Doris E., Cruz-Cabeza, Aurora J., Day, Graeme M., Della Valle, Raffaele G., Desiraju, Gautam R., van Eijck, Bouke P., Facelli, Julio C., Ferraro, Marta B., Grillo, Damian, Habgood, Matthew, Hofmann, Detlef W. M., Hofmann, Fridolin, Jose, K. V. Jovan, Karamertzanis, Panagiotis G., Kazantsev, Andrei V., Kendrick, John, Kuleshova, Liudmila N., Leusen, Frank J. J., Maleev, Andrey V., Misquitta, Alston J., Mohamed, Sharmarke, Needs, Richard J., Neumann, Marcus A., Nikylov, Denis, Orendt, Anita M., Pal, Rumpa, Pantelides, Constantinos C., Pickard, Chris J., Price, Louise S., Price, Sarah L., Scheraga, Harold A., van de Streek, Jacco, Thakur, Tejender S., Tiwari, Siddharth, Venuti, Elisabetta, Zhitkov, Ilia K.
Опубликовано 2011

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

по Reilly, Anthony M., Cooper, Richard I., Adjiman, Claire S., Bhattacharya, Saswata, Boese, A. Daniel, Brandenburg, Jan Gerit, Bygrave, Peter J., Bylsma, Rita, Campbell, Josh E., Car, Roberto, Case, David H., Chadha, Renu, Cole, Jason C., Cosburn, Katherine, Cuppen, Herma M., Curtis, Farren, Day, Graeme M., DiStasio Jr, Robert A., Dzyabchenko, Alexander, van Eijck, Bouke P., Elking, Dennis M., van den Ende, Joost A., Facelli, Julio C., Ferraro, Marta B., Fusti-Molnar, Laszlo, Gatsiou, Christina-Anna, Gee, Thomas S., de Gelder, René, Ghiringhelli, Luca M., Goto, Hitoshi, Grimme, Stefan, Guo, Rui, Hofmann, Detlef W. M., Hoja, Johannes, Hylton, Rebecca K., Iuzzolino, Luca, Jankiewicz, Wojciech, de Jong, Daniël T., Kendrick, John, de Klerk, Niek J. J., Ko, Hsin-Yu, Kuleshova, Liudmila N., Li, Xiayue, Lohani, Sanjaya, Leusen, Frank J. J., Lund, Albert M., Lv, Jian, Ma, Yanming, Marom, Noa, Masunov, Artëm E., McCabe, Patrick, McMahon, David P., Meekes, Hugo, Metz, Michael P., Misquitta, Alston J., Mohamed, Sharmarke, Monserrat, Bartomeu, Needs, Richard J., Neumann, Marcus A., Nyman, Jonas, Obata, Shigeaki, Oberhofer, Harald, Oganov, Artem R., Orendt, Anita M., Pagola, Gabriel I., Pantelides, Constantinos C., Pickard, Chris J., Podeszwa, Rafal, Price, Louise S., Price, Sarah L., Pulido, Angeles, Read, Murray G., Reuter, Karsten, Schneider, Elia, Schober, Christoph, Shields, Gregory P., Singh, Pawanpreet, Sugden, Isaac J., Szalewicz, Krzysztof, Taylor, Christopher R., Tkatchenko, Alexandre, Tuckerman, Mark E., Vacarro, Francesca, Vasileiadis, Manolis, Vazquez-Mayagoitia, Alvaro, Vogt, Leslie, Wang, Yanchao, Watson, Rona E., de Wijs, Gilles A., Yang, Jack, Zhu, Qiang, Groom, Colin R.
Опубликовано в: Acta Crystallogr B Struct Sci Cryst Eng Mater (2016)