A third blind test of crystal structure prediction

Acta Crystallographica Section B: Structural Science

Volumn 61, Issue 5, 2005, Pages 511-527

  Day, G M ^a   Motherwell, W D S ^b   Ammon, H L ^c   Boerrigter, S X M ^d   Della Valle, R G ^e   Venuti, E ^e   Dzyabchenko, A ^f   Dunitz, J D ^g   Schweizer, B ^g   Van Eijck, B P ^h   Erk, P ⁱ   Facelli, J C ^j   Bazterra, V E ^j   Ferraro, M B ^j   Hofmann, D W M ^k   Leusen, F J J ^l   Liang, C ^m   Pantelides, C C ⁿ   Karamertzanis, P G ⁿ   Price, S L ^o   Lewis, T C ^o   Nowell, H ^o   Torrisi, A ^p   Scheraga, H A ^q   Arnautova, Y A ^q   Schmidt, M U ^k   Verwer, P ^r   more..

^a UNIVERSITY OF CAMBRIDGE   (United Kingdom)

^b CAMBRIDGE CRYSTALLOGRAPHIC DATA CENTRE   (United Kingdom)

^c Bldg 142   (United States)

^d PURDUE UNIVERSITY   (United States)

^e UNIVERSITY OF BOLOGNA   (Italy)

^f KARPOV INSTITUTE OF PHYSICAL CHEMISTRY   (Russian Federation)

^g ETH ZURICH   (Switzerland)

^h UTRECHT UNIVERSITY   (Netherlands)

ⁱ BASF SE   (Germany)

^j UNIVERSITY OF UTAH   (United States)

^k GOETHE UNIVERSITY   (Germany)

^l UNIVERSITY OF BRADFORD   (United Kingdom)

^m ACCELRYS INC   (United States)

ⁿ IMPERIAL COLLEGE LONDON   (United Kingdom)

^o UNIVERSITY COLLEGE LONDON   (United Kingdom)

^p DAVY FARADAY RESEARCH LABORATORY   (United Kingdom)

^q Department of Obstetrics Gynecology   (United States)

^r RADBOUD UNIVERSITY NIJMEGEN   (Netherlands)

more..

Author keywords

[No Author keywords available]

Indexed keywords

CONFORMATIONS; CRYSTAL GROWTH; CRYSTAL LATTICES; DATA ACQUISITION; MATHEMATICAL MODELS; MOLECULAR STRUCTURE; THERMODYNAMICS;

ENERGY MODELS; MOLECULAR DIAGRAMS; POLYMORPHS;

CRYSTAL STRUCTURE;

ALGORITHM; ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER PROGRAM; COMPUTER SIMULATION; CONFORMATION; FACTUAL DATABASE; METHODOLOGY; MONTE CARLO METHOD; PROTEIN CONFORMATION; PROTEIN DATABASE; PROTEIN FOLDING; THERMODYNAMICS; X RAY CRYSTALLOGRAPHY;

ALGORITHMS; CHEMISTRY; COMPUTER SIMULATION; CRYSTALLOGRAPHY, X-RAY; DATABASES, FACTUAL; DATABASES, PROTEIN; MODELS, CHEMICAL; MOLECULAR CONFORMATION; MOLECULAR STRUCTURE; MONTE CARLO METHOD; PROTEIN CONFORMATION; PROTEIN FOLDING; SOFTWARE; THERMODYNAMICS;

EID: 30344486863     PISSN: 01087681     EISSN: 01087681     Source Type: Journal    
DOI: 10.1107/S0108768105016563     Document Type: Article

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