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。Convergence of Excitation Energies in Mixed Quantum and Classical Solvent: Comparison of Continuum and Point Charge Models (vol 47, pg 12159, 2016)
Makenzie R. Provorse et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2017)
How Large Should the QM Region Be in QM/MM Calculations? The Case of Catechol O-Methyltransferase
Heather J. Kulik et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2016)
Proton Transfer and Structure-Specific Fluorescence in Hydrogen Bond-Rich Protein Structures
Dorothea Pinotsi et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2016)
Intrinsically disordered proteins in cellular signalling and regulation
Peter E. Wright et al.
NATURE REVIEWS MOLECULAR CELL BIOLOGY (2015)
Classification of Intrinsically Disordered Regions and Proteins
Robin van der Lee et al.
CHEMICAL REVIEWS (2014)
Multi-scale modeling of electronic spectra of three aromatic amino acids: importance of conformational averaging and explicit solute-solvent interactions
Petr Stepanek et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2014)
Solvatochromic probe in molecular solvents: implicit versus explicit solvent model
Andrzej Eilmes
THEORETICAL CHEMISTRY ACCOUNTS (2014)
Protein amyloids develop an intrinsic fluorescence signature during aggregation
Fiona T. S. Chan et al.
ANALYST (2013)
Reversible Phenol Oxidation and Reduction in the Structurally Well-Defined 2-Mercaptophenol-α3C Protein
Cecilia Tommos et al.
BIOCHEMISTRY (2013)
A Label-Free, Quantitative Assay of Amyloid Fibril Growth Based on Intrinsic Fluorescence
Dorothea Pinotsi et al.
CHEMBIOCHEM (2013)
On the Metric of Charge Transfer Molecular Excitations: A Simple Chemical Descriptor
Ciro A. Guido et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2013)
Parallel variable selection of molecular dynamics clusters as a tool for calculation of spectroscopic properties
Jiri Kessler et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2013)
The Charge Transfer Problem in Density Functional Theory Calculations of Aqueously Solvated Molecules
Christine M. Isborn et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2013)
Electronic Absorption Spectra from MM and ab Initio QM/MM Molecular Dynamics: Environmental Effects on the Absorption Spectrum of Photoactive Yellow Protein
Christine M. Isborn et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2012)
Multiwfn: A multifunctional wavefunction analyzer
Tian Lu et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2012)
How Donor-Bridge-Acceptor Energetics Influence Electron Tunneling Dynamics and Their Distance Dependences
Oliver S. Wenger
ACCOUNTS OF CHEMICAL RESEARCH (2011)
Nucleic acid charge transfer: Black, white and gray
Ravindra Venkatramani et al.
COORDINATION CHEMISTRY REVIEWS (2011)
Arginine and Glutamate-rich 1 (ARGLU1) Interacts with Mediator Subunit 1 (MED1) and Is Required for Estrogen Receptor-mediated Gene Transcription and Breast Cancer Cell Growth
Dingxiao Zhang et al.
JOURNAL OF BIOLOGICAL CHEMISTRY (2011)
A Qualitative Index of Spatial Extent in Charge-Transfer Excitations
Tangui Le Bahers et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2011)
Conformational dependence of the electronic coupling for hole transfer between adenine and tryptophan
Cristina Butchosa et al.
COMPUTATIONAL AND THEORETICAL CHEMISTRY (2011)
GAS, a new glutamate-rich protein, interacts differentially with SRCs and is involved in oestrogen receptor function
Jing Liang et al.
EMBO REPORTS (2009)
Structural aspects of the solvation shell of lysine and acetylated lysine: A Car-Parrinello and classical molecular dynamics investigation
V. Carnevale et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
Solution-state characteristics of the ultraviolet A-induced visible fluorescence from proteins
Purnananda Guptasarma
ARCHIVES OF BIOCHEMISTRY AND BIOPHYSICS (2008)
Excitation energies in density functional theory: An evaluation and a diagnostic test
Michael J. G. Peach et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
TD-DFT performance for the visible absorption spectra of organic dyes: Conventional versus long-range hybrids
Denis Jacquemin et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2008)
Spectroscopic studies of solutes in aqueous solution
Bing-hua Chai et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2008)
Charge-transfer transitions in protein circular dichroism calculations
Mark T. Oakley et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2006)
Efficient prediction of nucleic acid binding function from low-resolution protein structures
A Szilagyi et al.
JOURNAL OF MOLECULAR BIOLOGY (2006)
Modeling the absorption spectrum of tryptophan in proteins
DM Rogers et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2005)
Scalable molecular dynamics with NAMD
JC Phillips et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2005)
Histidine-rich glycoprotein: A novel adaptor protein in plasma that modulates the immune, vascular and coagulation systems
AL Jones et al.
IMMUNOLOGY AND CELL BIOLOGY (2005)
Near ultraviolet absorption arising from lysine residues in close proximity: A probe to monitor protein unfolding and aggregation in lysine-rich proteins
L Homchaudhuri et al.
BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN (2004)
A novel UV laser-induced visible blue radiation from protein crystals and aggregates: scattering artifacts or fluorescence transitions of peptide electrons delocalized through hydrogen bonding?
A Shukla et al.
ARCHIVES OF BIOCHEMISTRY AND BIOPHYSICS (2004)
A new hybrid exchange-correlation functional using the Coulomb-attenuating method (CAM-B3LYP)
T Yanai et al.
CHEMICAL PHYSICS LETTERS (2004)