Fourier transform convolution integrals applied to generalized born molecular volume

Journal of Computational Chemistry

Volumn 31, Issue 3, 2010, Pages 649-659

  Schüpbach, Thierry ^a   Zoete, Vincent ^a   Tsakam Sotché, Brice ^a,b   Michielin, Olivier ^a,c,d  

^a SWISS INSTITUTE OF BIOINFORMATICS   (Switzerland)

^b XL Biosim SA   (Switzerland)

^c LUDWIG INSTITUTE FOR CANCER RESEARCH   (Switzerland)

^d National Center of Competence in Research in Molecular Oncology   (Switzerland)

Author keywords

FFT; GBMV; Implicit solvent

Indexed keywords

BINDING FREE ENERGY; BIOLOGICAL APPLICATIONS; CONVOLUTION INTEGRALS; GENERALIZED BORN; HARDWARE-ACCELERATED; IMPLICIT SOLVENTS; MOLECULAR VOLUME; SOLVATION MODELS; TEST SYSTEMS;

BINDING ENERGY; CONVOLUTION; FREE ENERGY;

FAST FOURIER TRANSFORMS;

SOLVENT; TRYPSIN;

ALGORITHM; CHEMISTRY; FOURIER ANALYSIS; MOLECULAR DYNAMICS; REVIEW; THERMODYNAMICS;

ALGORITHMS; FOURIER ANALYSIS; MOLECULAR DYNAMICS SIMULATION; SOLVENTS; THERMODYNAMICS; TRYPSIN;

EID: 75649149165     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.21338     Document Type: Review

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