Andrei V Kazantsev
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Explore the profile of Andrei V Kazantsev including associated specialties, affiliations and a list of published articles.
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6
Citations
133
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Recent Articles
1.
Karamertzanis P, Kazantsev A, Issa N, Welch G, Adjiman C, Pantelides C, et al.
J Chem Theory Comput
. 2015 Nov;
5(5):1432-48.
PMID: 26609729
We report a multistage lattice energy minimization methodology for generating stable packing arrangements of cocrystals containing flexible molecules. In the first approximation, the intermolecular electrostatic interactions are modeled with atomic...
2.
Habgood M, Sugden I, Kazantsev A, Adjiman C, Pantelides C
J Chem Theory Comput
. 2015 Nov;
11(4):1957-69.
PMID: 26574397
A key step in many approaches to crystal structure prediction (CSP) is the initial generation of large numbers of candidate crystal structures via the exploration of the lattice energy surface....
3.
Pantelides C, Adjiman C, Kazantsev A
Top Curr Chem
. 2014 Feb;
345:25-58.
PMID: 24500330
The prediction of the possible crystal structure(s) of organic molecules is an important activity for the pharmaceutical and agrochemical industries, among others, due to the prevalence of crystalline products. This...
4.
Vasileiadis M, Kazantsev A, Karamertzanis P, Adjiman C, Pantelides C
Acta Crystallogr B
. 2012 Nov;
68(Pt 6):677-85.
PMID: 23165604
We investigate the ability of current ab initio crystal structure prediction techniques to identify the polymorphs of 5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile, also known as ROY because of the red, orange and yellow colours...
5.
Bardwell D, Adjiman C, Arnautova Y, Bartashevich E, Boerrigter S, Braun D, et al.
Acta Crystallogr B
. 2011 Nov;
67(Pt 6):535-51.
PMID: 22101543
Following on from the success of the previous crystal structure prediction blind tests (CSP1999, CSP2001, CSP2004 and CSP2007), a fifth such collaborative project (CSP2010) was organized at the Cambridge Crystallographic...
6.
Kazantsev A, Karamertzanis P, Adjiman C, Pantelides C, Price S, Galek P, et al.
Int J Pharm
. 2011 Apr;
418(2):168-78.
PMID: 21497184
The range of target structures in the fifth international blind test of crystal structure prediction was extended to include a highly flexible molecule, (benzyl-(4-(4-methyl-5-(p-tolylsulfonyl)-1,3-thiazol-2-yl)phenyl)carbamate, as a challenge representative of modern...