The Fenna-Matthews-Olson Protein Revisited: A Fully Polarizable (TD)DFT/MM Description

A TDDFT/MMPol/PCM model for the simulation of exciton-coupled circular dichroism spectra

(2014) Sandro Jurinovich et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Toward Reliable Prediction of the Energy Ladder in Multichromophoric Systems: A Benchmark Study on the FMO Light-Harvesting Complex

(2013) Nanna Holmgaard List et al.   Journal of Chemical Theory and Computation

Protein Effects on the Optical Spectrum of the Fenna–Matthews–Olson Complex from Fully Quantum Chemical Calculations

(2013) Carolin König et al.   Journal of Chemical Theory and Computation

QM/MM Modeling of Environmental Effects on Electronic Transitions of the FMO Complex

(2013) Junkuo Gao et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Toward Ab Initio Optical Spectroscopy of the Fenna–Matthews–Olson Complex

(2013) Daniel J. Cole et al.   Journal of Physical Chemistry Letters

Structure-based modeling of energy transfer in photosynthesis

(2013) Thomas Renger et al.   PHOTOSYNTHESIS RESEARCH

Understanding photosynthetic light-harvesting: a bottom up theoretical approach

(2013) Thomas Renger et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

The Qy Absorption Spectrum of the Light-Harvesting Complex II As Determined by Structure-Based Analysis of Chlorophyll Macrocycle Deformations

(2012) Giuseppe Zucchelli et al.   BIOCHEMISTRY

Atomistic Study of the Long-Lived Quantum Coherences in the Fenna-Matthews-Olson Complex

(2012) Sangwoo Shim et al.   BIOPHYSICAL JOURNAL

Energy Flow in the Cryptophyte PE545 Antenna Is Directed by Bilin Pigment Conformation

(2012) Carles Curutchet et al.   JOURNAL OF PHYSICAL CHEMISTRY B

H++ 3.0: automating pK prediction and the preparation of biomolecular structures for atomistic molecular modeling and simulations

(2012) R. Anandakrishnan et al.   NUCLEIC ACIDS RESEARCH

Extracting the Excitonic Hamiltonian of the Fenna-Matthews-Olson Complex Using Three-Dimensional Third-Order Electronic Spectroscopy

(2011) Dugan Hayes et al.   BIOPHYSICAL JOURNAL

Development of Polarizable Models for Molecular Mechanical Calculations I: Parameterization of Atomic Polarizability

(2011) Junmei Wang et al.   JOURNAL OF PHYSICAL CHEMISTRY B

From Atomistic Modeling to Excitation Transfer and Two-Dimensional Spectra of the FMO Light-Harvesting Complex

(2011) Carsten Olbrich et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Development of Polarizable Models for Molecular Mechanical Calculations II: Induced Dipole Models Significantly Improve Accuracy of Intermolecular Interaction Energies

(2011) Junmei Wang et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Theory and Simulation of the Environmental Effects on FMO Electronic Transitions

(2011) Carsten Olbrich et al.   Journal of Physical Chemistry Letters

Photosynthetic Light-Harvesting Is Tuned by the Heterogeneous Polarizable Environment of the Protein

(2011) Carles Curutchet et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The role of the environment in electronic energy transfer: a molecular modeling perspective

(2011) Benedetta Mennucci et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

First-principles calculation of electronic spectra of light-harvesting complex II

(2011) Carolin König et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

The Eighth Bacteriochlorophyll Completes the Excitation Energy Funnel in the FMO Protein

(2010) Marcel Schmidt am Busch et al.   Journal of Physical Chemistry Letters

Revisiting the optical properties of the FMO protein

(2010) Maaike T. W. Milder et al.   PHOTOSYNTHESIS RESEARCH

Long-lived quantum coherence in photosynthetic complexes at physiological temperature

(2010) G. Panitchayangkoon et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

QM/MM Methods for Biomolecular Systems

(2009) Hans Martin Senn et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Fretting about FRET: Failure of the Ideal Dipole Approximation

(2009) Aurora Muñoz-Losa et al.   BIOPHYSICAL JOURNAL

Subsystem-Based Theoretical Spectroscopy of Biomolecules and Biomolecular Assemblies

(2009) Johannes Neugebauer   CHEMPHYSCHEM

Electronic Energy Transfer in Condensed Phase Studied by a Polarizable QM/MM Model

(2009) Carles Curutchet et al.   Journal of Chemical Theory and Computation

Beyond Förster Resonance Energy Transfer in Biological and Nanoscale Systems

(2009) David Beljonne et al.   JOURNAL OF PHYSICAL CHEMISTRY B

The structural basis for the difference in absorbance spectra for the FMO antenna protein from various green sulfur bacteria

(2009) Dale E. Tronrud et al.   PHOTOSYNTHESIS RESEARCH

Dynamics of Light Harvesting in Photosynthesis

(2008) Yuan-Chung Cheng et al.   Annual Review of Physical Chemistry