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Marc‐Antoine Perrin

Energy Ranking of Molecular Crystals Using Density Functional Theory Calculations and an Empirical van der Waals Correction
2005 · Marcus A. Neumann, Marc-Antoine Perrin · The Journal of Physical Chemistry B · 297
Crystal structure determination of the elusive paracetamol Form III
2009 · Marc-Antoine Perrin, Marcus A. Neumann, et al. · Chemical Communications · 144
Polymorphism of paracetamol: Relative stabilities of the monoclinic and orthorhombic phases inferred from topological pressure‐temperature and temperature‐volume phase diagrams
2004 · Philippe Espeau, René Céolin, et al. · Journal of Pharmaceutical Sciences · 131
Discovery and Optimization of Pyrimidone Indoline Amide PI3Kβ Inhibitors for the Treatment of Phosphatase and Tensin Homologue (PTEN)-Deficient Cancers
2014 · Victor Certal, Jean-Christophe Carry, et al. · Journal of Medicinal Chemistry · 88
Revisiting the Blind Tests in Crystal Structure Prediction: Accurate Energy Ranking of Molecular Crystals
2009 · Aldi Asmadi, Marcus A. Neumann, et al. · The Journal of Physical Chemistry B · 80
Color of pure and alkali-doped cerium sulfide: A local-density-functional study
1996 · M.-A. Perrin, E. Wimmer · Physical review. B, Condensed matter · 65
Computer simulation study of the defect chemistry of rutile TiO2
1995 · D.C. Sayle, C.R.A. Catlow, et al. · Journal of Physics and Chemistry of Solids · 56
Rhodium(III)-Catalyzed C–H Activation/Heterocyclization as a Macrocyclization Strategy. Synthesis of Macrocyclic Pyridones
2017 · Jean-Philippe Krieger, Dominique Lesuisse, et al. · Organic Letters · 55
Comparison of high pressure homogenization and stirred bead milling for the production of nano-crystalline suspensions
2018 · Mostafa Nakach, Jean-René Authelin, et al. · International Journal of Pharmaceutics · 50
Ring Expansion of Cyclic β-Amino Alcohols Induced by Diethylaminosulfur Trifluoride: Synthesis of Cyclic Amines with a Tertiary Fluorine at C3
2012 · Bruno Anxionnat, Benoit Robert, et al. · The Journal of Organic Chemistry · 50
Computer Modeling of the V2O5/TiO2 Interface
1996 · D. C. Sayle, C. R. A. Catlow, et al. · The Journal of Physical Chemistry · 45
Polymorphism of Progesterone: Relative Stabilities of the Orthorhombic Phases I and II Inferred from Topological and Experimental Pressure-Temperature Phase Diagrams
2008 · Maria Barrio, Philippe Espeau, et al. · Journal of Pharmaceutical Sciences · 42
Overall Monotropic Behavior of a Metastable Phase of Biclotymol, 2,2′-Methylenebis(4-Chloro-3-Methyl-Isopropylphenol), Inferred From Experimental and Topological Construction of the Related P-T State Diagram
2008 · René Céolin, Josep-Lluis Tamarit, et al. · Journal of Pharmaceutical Sciences · 42
Can crystal structure prediction guide experimentalists to a new polymorph of paracetamol?
2009 · Marcus Aurelius Neumann, Marc-Antoine Perrin · CrystEngComm · 41
Differential Water Thermodynamics Determine PI3K-Beta/Delta Selectivity for Solvent-Exposed Ligand Modifications
2016 · Daniel Robinson, Thomas Bertrand, et al. · Journal of Chemical Information and Modeling · 38
Efficient Purification of an Active Pharmaceutical Ingredient via Cocrystallization: From Thermodynamics to Scale-Up
2012 · Pascal Billot, Patrik Hosek, et al. · Organic Process Research & Development · 36
Polymorph formation from solvate desolvation
2007 · Beatrice Nicolaï, P. Espeau, et al. · Journal of Thermal Analysis and Calorimetry · 32
Rimonabant Dimorphism and Its Pressure–Temperature Phase Diagram: A Delicate Case of Overall Monotropic Behavior
2013 · Marc-Antoine Perrin, Michel Bauer, et al. · Journal of Pharmaceutical Sciences · 24
Docetaxel : Solid state characterization by X-ray powder diffraction and thermogravimetry
2001 · L. Zaske, M.-A. Perrin, et al. · Journal de Physique IV (Proceedings) · 23
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Solid State Studies on Synthetic and Natural Crystalline Arsenic(III) Sulfide, As2S3(Orpiment): New Data for an Old Compound
2006 · P. Espeau, J. Ll. Tamarit, et al. · Chemistry of Materials · 20
Solid-State Studies of the Triclinic (Z′ = 2) Antiprotozoal Drug Ternidazole
2011 · Nathalie Mahé, Marc-Antoine Perrin, et al. · Journal of Pharmaceutical Sciences · 19
Liquid–Liquid Miscibility Gaps in Drug–Water Binary Systems: Crystal Structure and Thermodynamic Properties of Prilocaine and the Temperature–Composition Phase Diagram of the Prilocaine–Water System
2013 · Ivo B. Rietveld, Marc-Antoine Perrin, et al. · Molecular Pharmaceutics · 17
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Tetramorphism of fananserine : p, T diagram and stability hierarchy from crystal structure determinations and thermodynamic studies
2001 · J. Giovannini, L. Ter Minassian, et al. · Journal de Physique IV (Proceedings) · 16
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Solid-State Properties and Dehydration Behavior of the Active Pharmaceutical Ingredient Potassium Guaiacol-4-sulfonate
2013 · Nathalie Mahé, Béatrice Nicolaï, et al. · Crystal Growth & Design · 15
Validation of dispersion-corrected density functional theory calculations for the crystal structure prediction of molecular salts: a crystal structure prediction study of pyridinium chloride
2010 · Jacco van de Streek, Marcus A. Neumann, et al. · CrystEngComm · 15
Works count: 58
Citation count: 1,541
H-index: 20
I10-index: 29
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