相关参考文献
注意：仅列出部分参考文献，下载原文获取全部文献信息。Architecture, implementation and parallelisation of the GROMOS software for biomolecular simulation
Nathan Schmid et al.
COMPUTER PHYSICS COMMUNICATIONS (2012)
Flexibility and binding affinity in protein-ligand, protein-protein and multi-component protein interactions: limitations of current computational approaches
Pierre Tuffery et al.
JOURNAL OF THE ROYAL SOCIETY INTERFACE (2012)
Definition and testing of the GROMOS force-field versions 54A7 and 54B7
Nathan Schmid et al.
EUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERS (2011)
Biomolecular structure refinement using the GROMOS simulation software
Nathan Schmid et al.
JOURNAL OF BIOMOLECULAR NMR (2011)
GROMOS plus plus Software for the Analysis of Biomolecular Simulation Trajectories
Andreas P. Eichenberger et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2011)
Protein-Ligand Interactions: Thermodynamic Effects Associated with Increasing Nonpolar Surface Area
James M. Myslinski et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2011)
Structure in solution of a four-helix lipid binding protein
Bo Heinemann et al.
PROTEIN SCIENCE (2010)
The crystal structure of oxylipin-conjugated barley LTP1 highlights the unique plasticity of the hydrophobic cavity of these plant lipid-binding proteins
B. Bakan et al.
BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS (2009)
The binding cavity of mouse major urinary protein is optimised for a variety of ligand binding modes
Thelma A. Pertinhez et al.
BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS (2009)
Protein promiscuity and its implications for biotechnology
Irene Nobeli et al.
NATURE BIOTECHNOLOGY (2009)
Binding of Small-Molecule Ligands to Proteins: What You See Is Not Always What You Get
David L. Mobley et al.
STRUCTURE (2009)
Limitations and lessons in the use of X-ray structural information in drug design
Andrew M. Davis et al.
DRUG DISCOVERY TODAY (2008)
Perspectives on NMR in drug discovery: a technique comes of age
Maurizio Pellecchia et al.
NATURE REVIEWS DRUG DISCOVERY (2008)
The biochemistry and biology of extracellular plant lipid-transfer proteins (LTPs)
Trevor H. Yeats et al.
PROTEIN SCIENCE (2008)
Plant non-specific lipid transfer proteins:: An interface between plant defence and human allergy
G. Salcedo et al.
BIOCHIMICA ET BIOPHYSICA ACTA-MOLECULAR AND CELL BIOLOGY OF LIPIDS (2007)
A critical assessment of docking programs and scoring functions
Gregory L. Warren et al.
JOURNAL OF MEDICINAL CHEMISTRY (2006)
Data-driven docking for the study of biomolecular complexes
ADJ van Dijk et al.
FEBS JOURNAL (2005)
The many roles of computation in drug discovery
WL Jorgensen
SCIENCE (2004)
Lipid binding in rice nonspecific lipid transfer protein-1 complexes from Oryza sativa
HC Cheng et al.
PROTEIN SCIENCE (2004)
Comparison of four methods to compute the dielectric permittivity of liquids from molecular dynamics simulations
TN Heinz et al.
JOURNAL OF CHEMICAL PHYSICS (2001)
Structural basis of non-specific lipid binding in maize lipid-transfer protein complexes revealed by high-resolution X-ray crystallography
GW Han et al.
JOURNAL OF MOLECULAR BIOLOGY (2001)
Structure, biological and technological functions of lipid transfer proteins and indolines, the major lipid binding proteins from cereal kernels
JP Douliez et al.
JOURNAL OF CEREAL SCIENCE (2000)
The wide binding properties of a wheat nonspecific lipid transfer protein -: Solution structure of a complex with prostaglandin B2
S Tassin-Moindrot et al.
EUROPEAN JOURNAL OF BIOCHEMISTRY (2000)
分享论文
