István Kolossváry - researchr alias

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Viewing Publication 1 - 11 from 11

2008

2007

2006

Molecular dynamics - Scalable algorithms for molecular dynamics simulations on commodity clustersKevin J. Bowers, Edmond Chow, Huafeng Xu, Ron O. Dror, Michael P. Eastwood, Brent A. Gregersen, John L. Klepeis, István Kolossváry, Mark A. Moraes, Federico D. Sacerdoti, John K. Salmon, Yibing Shan, David E. Shaw. sc 2006: 84 [doi]

2002

Application of the frozen atom approximation to the GB/SA continuum model for solvation free energyOlgun Guvench, Jörg Weiser, Peter S. Shenkin, István Kolossváry, W. Clark Still. jcc, 23(2):214-221, 2002. [doi]

2001

Hessian-free low-mode conformational search for large-scale protein loop optimization: application to c-jun N-terminal kinase JNK3István Kolossváry, György M. Keserü. jcc, 22(1):21-30, 2001. [doi]

1999

Low-mode conformational search elucidated: Application to C39H80 and flexible docking of 9-deazaguanine inhibitors into PNPIstván Kolossváry, Wayne C. Guida. jcc, 20(15):1671-1684, 1999. [doi]

On the Sign of Local Temperature in MoleculesIstván Kolossváry. entropy, 1(1):4-8, 1999. [doi]

1997

Simple tests for density functional methodsGábor I. Csonka, Nam Anh Nguyen, István Kolossváry. jcc, 18(12):1534-1545, 1997. [doi]

1996

Theoretical study of intramolecular hydrogen bonding and molecular geometry of 2-trifluoromethylphenolAttila Kovács, István Kolossváry, Gábor I. Csonka, István Hargittai. jcc, 17(16):1804-1819, 1996. [doi]

1993

Torsional flexing: Conformational searching of cyclic molecules in biased internal coordinate spaceIstván Kolossváry, Wayne C. Guida. jcc, 14(6):691-698, 1993. [doi]

1992

Compare Conformer: a program for the rapid comparison of molecular conformers based on interatomic distances and torsion anglesIstván Kolossváry, Wayne C. Guida. jcisd, 32(3):191-199, 1992. [doi]

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