E. Knapp

发表

Calculated pH-dependent population and protonation of carbon-monoxy-myoglobin conformers.

B. Rabenstein, E. Knapp, 2001, Biophysical journal.

Protonation and stability of the globular domain of influenza virus hemagglutinin.

E. Knapp, Qiang Huang, A. Herrmann, 2002, Biophysical journal.

Electrostatic models for computing protonation and redox equilibria in proteins

E. Knapp, G. Ullmann, 1999, European Biophysics Journal.

pKa values in proteins determined by electrostatics applied to molecular dynamics trajectories.

Ernst-Walter Knapp, Tim Meyer, E. Knapp, 2015, Journal of chemical theory and computation.

One-electron reduction potential for oxygen- and sulfur-centered organic radicals in protic and aprotic solvents.

E. Knapp, Marcel Schmidt am Busch, 2005, Journal of the American Chemical Society.

α-Helices direct excitation energy flow in the Fenna–Matthews–Olson protein

B. Rabenstein, E. Knapp, T. Renger, 2007, Proceedings of the National Academy of Sciences.

Computational studies on imidazole heme conformations

E. Knapp, S. Zarić, A. Galstyan, 2005, JBIC Journal of Biological Inorganic Chemistry.

Protonation equilibria of transition metal complexes: From model systems toward the Mn-complex in photosystem II

E. Knapp, Emanuele Rossini, 2017 .

Understanding selectin counter-receptor binding from electrostatic energy computations and experimental binding studies.

E. Knapp, T. Meyer, C. Kuehne, 2013, The journal of physical chemistry. B.

Optimizing pKA computation in proteins with pH adapted conformations

Gernot Kieseritzky, E. Knapp, Gernot Kieseritzky, 2008, Proteins.

Free Energy Computations on the Shift of the Special Pair Redox Potential: Mutants of the Reaction Center of Rhodobacter sphaeroides

J. Apostolakis, I. Muegge, E. Knapp, 1996 .

Shift of the special pair redox potential: electrostatic energy computations of mutants of the reaction center from Rhodobacter sphaeroides.

J. Apostolakis, I. Muegge, E. Knapp, 1996, Biochemistry.

An energy function for dynamics simulations of polypeptides in torsion angle space

E. Knapp, F. Sartori, B. Melchers, 1998 .

Bound Ligand Conformer Revealed by Flexible Structure Alignment in Absence of Crystal Structures: Indirect Drug Design Probed for HIV-1 Protease Inhibitors.

E. Knapp, M. Hodošček, A. Juneja, 2009, Journal of chemical theory and computation.

Circular permuted proteins in the universe of protein folds

Aysam Guerler, Tobias Schmidt-Goenner, E. Knapp, 2010, Proteins.

Empirical Conversion of pKa Values between Different Solvents and Interpretation of the Parameters: Application to Water, Acetonitrile, Dimethyl Sulfoxide, and Methanol

E. Knapp, A. Bochevarov, Emanuele Rossini, 2018, ACS omega.

Sampling geometries of protein-protein complexes.

E. Knapp, Stephan Lorenzen, Aysam Guerler, 2008, Genome informatics. International Conference on Genome Informatics.

Evaluation of sequence alignments of distantly related sequence pairs with respect to structural similarity.

E. Knapp, Aysam Gürler, 2007, Genome informatics. International Conference on Genome Informatics.

Diffusion of two different water models and thermal conductivity in a protein—water system

I. Muegge, E. Knapp, K. Blumhagen, 1996 .

Geometry motivated alternative view on local protein backbone structures

E. Knapp, J. Zacharias, 2013, Protein science : a publication of the Protein Society.

Metal ligand aromatic cation-pi interactions in metalloproteins: ligands coordinated to metal interact with aromatic residues.

E. Knapp, S. Zarić, D. Popović, 2000, Chemistry.

Chemically Realistic Tetrahedral Lattice Models for Polymer Chains: Application to Polyethylene Oxide.

E. Knapp, D. J. Diestler, Johannes C. B. Dietschreit, 2016, Journal of chemical theory and computation.

Quantum‐mechanical treatment of collision‐induced dissociation

E. Knapp, D. J. Diestler, 1977 .

Close-coupling calculation of quantum-mechanical probabilities for collision-induced dissociation☆

E. Knapp, D. J. Diestler, Y.-W. Lin, 1977 .

Database of protein complexes with multivalent binding ability: Bival‐bind

E. Knapp, T. Meyer, 2014, Proteins.

Model Studies of Protein Dynamics. The Role of Potential Energy Surface, Friction and Entropy

E. Knapp, 1986 .

Protein dynamics in the photosynthetic reaction center: the electron transfer from cytochrome c to the special pair.

E. Knapp, L. Nilsson, 1990 .

Computations of 36 tautomer/isomer equilibria of different lactams.

E. Knapp, G. Galstyan, 2012, The journal of physical chemistry. A.

PSII manganese cluster: Protonation of W2, O5, O4 and His337 in the S1 state

E. Knapp, A. Galstyan, Arturo Robertazzi, 2014 .

PSII manganese cluster: protonation of W2, O5, O4 and His337 in the S1 state explored by combined quantum chemical and electrostatic energy computations.

E. Knapp, A. Galstyan, Arturo Robertazzi, 2014, Biochimica et biophysica acta.

Control of quinone redox potentials in photosystem II: Electron transfer and photoprotection.

E. Knapp, Hiroshi Ishikita, 2005, Journal of the American Chemical Society.

Oxidation of the non-heme iron complex in photosystem II.

E. Knapp, Hiroshi Ishikita, 2005, Biochemistry.

Collinear reactive scattering of H on H2 in the magnus approximation

E. Knapp, H. Krüger, 1976 .

A complete decoupling of Faddeev-like equations for three arrangement systems; applications to HH2 collision

E. Knapp, H. Krüger, 1976 .

Rubredoxin Function: Redox Behavior from Electrostatics.

E. Knapp, Hiroshi Ishikita, Gernot Kieseritzky, 2011, Journal of chemical theory and computation.

Protonation-State-Dependent Communication in Cytochrome c Oxidase.

E. Knapp, P. Imhof, T. Ghane, 2016, Biophysical journal.

RETRACTED: Protonation State-Dependent Communication in Cytochrome c Oxidase.

E. Knapp, P. Imhof, T. Ghane, 2016, Biophysical journal.

Redox induced protonation of heme propionates in cytochrome c oxidase: Insights from surface enhanced resonance Raman spectroscopy and QM/MM calculations.

E. Knapp, R. Schlesinger, I. Weidinger, 2017, Biochimica et biophysica acta. Bioenergetics.

Protonation states of ammonia/ammonium in the hydrophobic pore of ammonia transporter protein AmtB.

E. Knapp, Hiroshi Ishikita, 2007, Journal of the American Chemical Society.

Water Dielectric Effects in Planar Confinement.

E. Knapp, R. Netz, Alexander Schlaich, 2016, Physical review letters.

Statistical Mechanics of the Stability of Multivalent Ligand−Receptor Complexes†

E. Knapp, D. J. Diestler, 2010 .

Multivalency as a chemical organization and action principle.

Christina Graf, Ernst-Walter Knapp, Christoph A Schalley, 2012, Angewandte Chemie.

Recent advances in anion–π interactions

Ernst-Walter Knapp, Arturo Robertazzi, Florian Krull, 2011 .

A Kunitz type protease inhibitor related protein is synthesized in Drosophila prepupal salivary glands and released into the moulting fluid during pupation.

R. Saunders, E. Knapp, A. Vilcinskas, 2004, Insect biochemistry and molecular biology.

A molecular docking study of estrogenically active compounds with 1,2-diarylethane and 1,2-diarylethene pharmacophores.

Ingo Muegge, Ernst-Walter Knapp, Peter M Kekenes-Huskey, 2004, Bioorganic & medicinal chemistry.

The Deacylation Step of Acetylcholinesterase: Computer Simulation Studies

J. Åqvist, B. Rabenstein, E. Knapp, 2000 .

Analysis of optical spectra from single crystals of Rhodopseudomonas viridis reaction centers.

J. Deisenhofer, H. Michel, W. Zinth, 1985, Proceedings of the National Academy of Sciences of the United States of America.

Mechanical Rupture of Mono- and Bivalent Transition Metal Complexes in Experiment and Theory

E. Knapp, H. Reissig, J. Rabe, 2015 .

Analysis of the optical absorption spectra of diradical oligomers in diacetylene crystals

E. Knapp, S. Fischer, H. Gross, 1984 .

Computing pKa Values in Different Solvents by Electrostatic Transformation.

E. Knapp, R. Netz, Emanuele Rossini, 2016, Journal of chemical theory and computation.

Proton solvation in protic and aprotic solvents

Emanuele Rossini, Ernst-Walter Knapp, E. Knapp, 2016, J. Comput. Chem..

Negative solubility coefficient of methylated cyclodextrins in water: A theoretical study

E. Knapp, W. Saenger, E. Starikov, 2001 .

Lineshapes of molecular aggregates, exchange narrowing and intersite correlation

E. Knapp, 1984 .

The X-ray absorption spectroscopy Debye-Waller factors of an iron compound and of met-myoglobin as a function of temperature

E. Knapp, K. Achterhold, F. Parak, 2001, European Biophysics Journal.

Diffusion of water molecules in crystalline -cyclodextrin hydrates 1 1 Color Plates for this articl

E. Knapp, W. Saenger, K. Braesicke, 2000 .

Accurate redox potentials of mononuclear iron, manganese, and nickel model complexes*

Ernst-Walter Knapp, Artur Galstyan, E. Knapp, 2009, J. Comput. Chem..

Factors determining the orientation of axially coordinated imidazoles in heme proteins.

E. Knapp, S. Zarić, D. Popović, 2001, Biochemistry.

On the lineshapes of vibronically resolved molecular aggregate spectra. application to pseudoisocyanin (PIC)

E. Knapp, P. Scherer, S. Fischer, 1984 .

Exciton-phonon self-trapping: A continuous transition

E. Knapp, P. Scherer, S. Fischer, 1984 .

Electron hopping and magnetic field dependent spin dynamics of radical ions in solution

E. Knapp, M. Michel-beyerle, H. W. Krüger, 1983 .

Magnetic field effect on the hyperfine-induced electron spin motion in radicals undergoing diamagnetic-paramagnetic exchange

K. Schulten, E. Knapp, 1979 .

Exchange narrowing of correlated inhomogeneities. The dimer lineshape

E. Knapp, S. Fischer, 1984 .

Correlation of structural and spectroscopic properties of a photosynthetic reaction center

J. Deisenhofer, H. Michel, W. Zinth, 1985 .

Vibrational line shapes in liquids. The role of resonant intermolecular coupling

E. Knapp, 1984 .

Redox potential of quinones in photosynthetic reaction centers from Rhodobacter sphaeroides: dependence on protonation of Glu-L212 and Asp-L213.

E. Knapp, G. Morra, Hiroshi Ishikita, 2003, Biochemistry.

Electron transfer and protein dynamics

E. Knapp, S. Fischer, 1987 .

Model studies of low-temperature optical transitions of photosynthetic reaction centers A-, LD-, CD-, ADMR- and LD-ADMR-spectra for Rhodopseudomonas viridis

E. Knapp, P. Scherer, S. Fischer, 1986 .

Influence of Heterogeneity on the Ultrafast Photoisomerization Dynamics of Pfr in Cph1 Phytochrome

E. Knapp, T. Stensitzki, J. Hughes, 2017, Photochemistry and photobiology.

Driving forces of protein association: the dimer-octamer equilibrium in arylsulfatase A.

E. Knapp, W. Saenger, Peter Vagedes, 2002, Biophysical journal.

A statistical mechanical method to optimize energy functions for protein folding.

U Bastolla, M Vendruscolo, U. Bastolla, 2000, Proceedings of the National Academy of Sciences of the United States of America.

Long time dynamics of a polymer with rigid body monomer units relating to a protein model: Comparison with the rouse model

E. Knapp, 1992 .

Novel protein folds and their nonsequential structural analogs

Aysam Guerler, Ernst-Walter Knapp, E. Knapp, 2008, Protein science : a publication of the Protein Society.

Protein Secondary Structure Prediction with SPARROW

Francesco Bettella, Ernst-Walter Knapp, Dawid Rasinski, 2012, J. Chem. Inf. Model..

Structural and Vibrational Characterization of the Chromophore Binding Site of Bacterial Phytochrome Agp1

E. Knapp, A. Woelke, P. Hildebrandt, 2017, Photochemistry and photobiology.

Vibrational energy relaxation of diatomic molecules isolated in rare‐gas matrices: Role of orientational motions

E. Knapp, D. J. Diestler, H. Ladouceur, 1978 .

On the theory of homogeneous and inhomogeneous line broadening. An exactly solvable model

E. Knapp, S. Fischer, 1981 .

The interdependence of small linewidth and frequency changes of a vibration in liquid mixtures of CDCl3 and CCl4

E. Knapp, W. Kiefer, B. P. Asthana, 1984 .

Vibrational dephasing of diatomic molecules in liquids: role of anharmonicity of the diatom

E. Knapp, 1978 .

The influence of protein dynamics on Mössbauer spectra

E. Knapp, F. Parak, S. Fischer, 1983 .

Mössbauer investigations on glass-forming organic liquids

E. Knapp, F. Parak, I. Chang, 1992 .

A consistent picture of protein dynamics.

E. Knapp, F Parak, E W Knapp, 1984, Proceedings of the National Academy of Sciences of the United States of America.

Protein dynamics from Moessbauer spectra. The temperature dependence

E. Knapp, F. Parak, S. Fischer, 1982 .

Protein dynamics. Mössbauer spectroscopy on deoxymyoglobin crystals.

E. Knapp, F. Parak, D. Kucheida, 1982, Journal of molecular biology.

Brownian Motions in Molecular Networks

E. Knapp, J. Heidemeier, F. Parak, 1988 .

How to guarantee optimal stability for most representative structures in the protein data bank

U Bastolla, J Farwer, E W Knapp, 2001, Proteins.

Can oxidation states and the protonation pattern of oxomanganese complexes be recognized from their structures

E. Knapp, A. Galstyan, Arturo Robertazzi, 2011 .

Structural alignment of ferredoxin and flavodoxin based on electrostatic potentials: Implications for their interactions with photosystem I and ferredoxin‐NADP reductase

E. Knapp, G. Ullmann, E W Knapp, 2000, Proteins.

Quantification of Local Electric Field Changes at the Active Site of Cytochrome c Oxidase by Fourier Transform Infrared Spectroelectrochemical Titrations

E. Knapp, J. Heberle, S. Stripp, 2021, Frontiers in Chemistry.

Merging Structural Information from X-ray Crystallography, Quantum Chemistry, and EXAFS Spectra: The Oxygen-Evolving Complex in PSII.

E. Knapp, H. Dau, P. Chernev, 2016, The journal of physical chemistry. B.

Multivalent Binding of Formin-binding Protein 21 (FBP21)-Tandem-WW Domains Fosters Protein Recognition in the Pre-spliceosome*

E. Knapp, T. Meyer, E. Krause, 2011, The Journal of Biological Chemistry.

Conformational entropy of biomolecules: beyond the quasi-harmonic approximation.

Ernst-Walter Knapp, Jorge Numata, E. Knapp, 2007, Genome informatics. International Conference on Genome Informatics.

Residence Times and Lateral Diffusion of Water at Protein Surfaces: Application to BPTI

I. Muegge, E. Knapp, I. Muegge, 1995 .

Polypeptide folding with off-lattice Monte Carlo dynamics: the method

Ernst-Walter Knapp, E. Knapp, D. Hoffmann, 1996, European Biophysics Journal.

Folding Pathways of a Helix−Turn−Helix Model Protein

E. Knapp, D. Hoffmann, 1997, physics/9706018.

Off‐lattice Monte Carlo method with constraints: Long‐time dynamics of a protein model without nonbonded interactions

Ernst-Walter Knapp, A. Irgens-Defregger, E. Knapp, 1993, J. Comput. Chem..

Long Time Dynamics of Proteins: an off-Lattice Monte Carlo Method

E. Knapp, A. Irgens-Defregger, 1991 .

Protein Secondary Structure Classification Revisited: Processing DSSP Information with PSSC

Ernst-Walter Knapp, Jan Zacharias, E. Knapp, 2014, J. Chem. Inf. Model..

C–H/O Interactions of Aromatic CH Donors within Proteins: A Crystallographic Study

Vesna B. Medakovic, E. Knapp, T. Meyer, 2016 .

Ionization of excited hydrogen and ground state neon by electron impact

E. Knapp, M. Schulz, 1974 .

The influence of the Pauli exclusion principle on electron impact ionization of light atoms

E. Knapp, 1973 .

Connectivity independent protein-structure alignment: a hierarchical approach

Thomas Steinke, Björn Kolbeck, Patrick May, 2006, BMC Bioinformatics.

Proton conduction in linear hydrogen-bonded systems

K. Schulten, E. Knapp, Z. Schulten, 1980 .

ProPairs: A Data Set for Protein-Protein Docking

Ernst-Walter Knapp, Florian Krull, Gerrit Korff, 2015, J. Chem. Inf. Model..

Understanding properties of cofactors in proteins: redox potentials of synthetic cytochromes b.

E. Knapp, A. Galstyan, Gernot Kieseritzky, 2010, Chemphyschem : a European journal of chemical physics and physical chemistry.

Energetics of the loop‐to‐helix transition leading to the coiled‐coil structure of influenza virus hemagglutinin HA2 subunits

P. S. Rachakonda, E. Knapp, Qiang Huang, 2009, Proteins.

Function of redox-active tyrosine in photosystem II.

E. Knapp, Hiroshi Ishikita, 2006, Biophysical journal.

Energetics of Proton Transfer Pathways in Reaction Centers from Rhodobacter sphaeroides

E. Knapp, Hiroshi Ishikita, 2005, Journal of Biological Chemistry.

Function of two β-carotenes near the D1 and D2 proteins in photosystem II dimers

E. Knapp, W. Saenger, A. Zouni, 2007 .

Merging Implicit with Explicit Solvent Simulations: Polyethylene Glycol.

E. Knapp, L. Nilsson, J. Numata, 2010, Journal of chemical theory and computation.

Artificial cytochrome b: computer modeling and evaluation of redox potentials.

B. Rabenstein, E. Knapp, S. Zarić, 2001, Journal of the American Chemical Society.

Structural fluctuations of myoglobin from normal-modes, Mössbauer, Raman, and absorption spectroscopy.

M. Leone, E. Knapp, L. Cordone, 1996, Biophysical journal.

Energetics of radical transfer in DNA photolyase.

E. Knapp, S. Zarić, Aleksandra Žmirić, 2002, Journal of the American Chemical Society.

Balanced and Bias-Corrected Computation of Conformational Entropy Differences for Molecular Trajectories.

Jorge Numata, Ernst-Walter Knapp, E. Knapp, 2012, Journal of chemical theory and computation.

Shifts of the Special Pair Redox Potential of Mutants of Rhodobacter sphaeroides Calculated with DelPhi and CHARMM Energy Functions

I. Muegge, E. Knapp, G. Ullmann, 1996 .

Reply to ‘‘Comment on: ‘Cytochrome oxidation in bacterial photosynthesis’ ’’

E. Knapp, S. Fischer, 1988 .

Accurate pKa determination for a heterogeneous group of organic molecules.

E. Knapp, Marcel Schmidt am Busch, 2004, Chemphyschem : a European journal of chemical physics and physical chemistry.

Contributions of the protein environment to the midpoint potentials of the A1 phylloquinones and the Fx iron-sulfur cluster in photosystem I.

E. Knapp, J. Golbeck, Hiroshi Ishikita, 2007, Biochemistry.

Normal Mode Analysis of Proteins to Interpret Resonant and Inelastic Scattering of γ Quanta

E. Knapp, F. Parak, B. Melchers, 1997 .

Redox potentials of chlorophylls in the photosystem II reaction center.

E. Knapp, W. Saenger, B. Loll, 2005, Biochemistry.

mFES: A Robust Molecular Finite Element Solver for Electrostatic Energy Computations.

E W Knapp, I Sakalli, J Schöberl, 2014, Journal of chemical theory and computation.

A unified theory of electron transfer and internal conversion based on solitary electronic states

E. Knapp, S. Fischer, 1989 .

Beating Heart of Cytochrome c Oxidase: The Shared Proton of Heme a3 Propionates.

E. Knapp, M. Mroginski, J. Dragelj, 2021, The journal of physical chemistry. B.

The redox-coupled proton-channel opening in cytochrome c oxidase

E. Knapp, M. Hodošček, A. Woelke, 2020, Chemical Science.

Redox Potential of Quinones in Both Electron Transfer Branches of Photosystem I*

E. Knapp, Hiroshi Ishikita, 2003, Journal of Biological Chemistry.

Redox potential of the non-heme iron complex in bacterial photosynthetic reaction center.

E. Knapp, Hiroshi Ishikita, A. Galstyan, 2007, Biochimica et biophysica acta.

Reprint of PSII manganese cluster: protonation of W2, O5, O4 and His337 in the S1 state explored by combined quantum chemical and electrostatic energy computations.

E. Knapp, A. Galstyan, Arturo Robertazzi, 2014, Biochimica et biophysica acta.

Oxygen-evolving Mn cluster in photosystem II: the protonation pattern and oxidation state in the high-resolution crystal structure.

E. Knapp, A. Galstyan, Arturo Robertazzi, 2012, Journal of the American Chemical Society.

How photosynthetic reaction centers control oxidation power in chlorophyll pairs P680, P700, and P870.

E. Knapp, W. Saenger, B. Loll, 2006, Proceedings of the National Academy of Sciences of the United States of America.

Cationic state of accessory chlorophyll and electron transfer through pheophytin to plastoquinone in photosystem II.

E. Knapp, W. Saenger, B. Loll, 2006, Angewandte Chemie.

Energetics of a possible proton exit pathway for water oxidation in photosystem II.

E. Knapp, W. Saenger, B. Loll, 2006, Biochemistry.

DemQSAR: predicting human volume of distribution and clearance of drugs

Ingo Muegge, Ernst-Walter Knapp, Ozgur Demir-Kavuk, 2011, J. Comput. Aided Mol. Des..

Retraction: The reductive phase of Rhodobacter sphaeroides cytochrome c oxidase disentangled by CO ligation.

E. Knapp, J. Heberle, S. Stripp, 2017, Physical chemistry chemical physics : PCCP.

The reductive phase of Rhodobacter sphaeroides cytochrome c oxidase disentangled by CO ligation.

E. Knapp, J. Heberle, S. Stripp, 2017, Physical chemistry chemical physics : PCCP.

Stability and fluctuations of amide hydrogen bonds in a bacterial cytochrome c: a molecular dynamics study

Ernst-Walter Knapp, Gernot Kieseritzky, Giulia Morra, 2005, JBIC Journal of Biological Inorganic Chemistry.

Electrostatic pKa computations in proteins: Role of internal cavities

Ernst-Walter Knapp, Gernot Kieseritzky, Tim Meyer, 2011, Proteins.

pKA in proteins solving the Poisson–Boltzmann equation with finite elements

Ernst-Walter Knapp, Ilkay Sakalli, E. Knapp, 2015, J. Comput. Chem..

Calculation of protonation patterns in proteins with structural relaxation and molecular ensembles – application to the photosynthetic reaction center

B. Rabenstein, E. Knapp, G. Ullmann, 1998, European Biophysics Journal.

The concentration dependence of the vibrational linewidth and shift in liquid binary mixtures: An analytical model

E. Knapp, S. Fischer, Ernst-Walter Knapp, 1982 .

Redox potentials of chlorophylls and beta-carotene in the antenna complexes of photosystem II.

E. Knapp, Hiroshi Ishikita, 2005, Journal of the American Chemical Society.

Redox potential of cytochrome c550 in the cyanobacterium Thermosynechococcus elongates

E. Knapp, Hiroshi Ishikita, 2005, FEBS letters.

Tuning electron transfer by ester‐group of chlorophylls in bacterial photosynthetic reaction center

E. Knapp, W. Saenger, B. Loll, 2005, FEBS letters.

Computing pKA values of hexa‐aqua transition metal complexes

Ernst-Walter Knapp, Gegham Galstyan, E. Knapp, 2015, J. Comput. Chem..

Improved pKa prediction: Combining empirical and semimicroscopic methods

Ernst-Walter Knapp, Gernot Kieseritzky, E. Knapp, 2008, J. Comput. Chem..

Electrostatic influence of PsaC protein binding to the PsaA/PsaB heterodimer in photosystem I.

E. Knapp, J. Golbeck, Hiroshi Ishikita, 2006, Biophysical journal.

Cover Picture: Multivalency as a Chemical Organization and Action Principle (Angew. Chem. Int. Ed. 42/2012)

Marcus Weber, O. Seitz, E. Knapp, 2012 .

Proton transfer in the K-channel analog of B-type Cytochrome c oxidase from Thermus thermophilus.

E. Knapp, T. Meyer, Anke Wagner, 2014, Biophysical journal.

Influence of spacer-receptor interactions on the stability of bivalent ligand-receptor complexes.

E. Knapp, D. J. Diestler, J. Numata, 2012, The journal of physical chemistry. B.

Tuning Heme Redox Potentials in the Cytochrome c Subunit of Photosynthetic Reaction Centers*

E. Knapp, P. Voigt, 2003, Journal of Biological Chemistry.

Strategies of non-sequential protein structure alignments.

Aysam Guerler, Ernst-Walter Knapp, E. Knapp, 2010, Genome informatics. International Conference on Genome Informatics.

Statistical thermodynamics of the stability of multivalent ligand-receptor complexes.

E. Knapp, D. J. Diestler, 2008, Physical review letters.

Electron transfer between the quinones in the photosynthetic reaction center and its coupling to conformational changes.

B. Rabenstein, E. Knapp, G. Ullmann, 2000, Biochemistry.

Energetics of electron-transfer and protonation reactions of the quinones in the photosynthetic reaction center of Rhodopseudomonas viridis.

B. Rabenstein, E. Knapp, G. Ullmann, 1998, Biochemistry.

Recombination of radicals in solution. A theoretical study on the influence of two‐ and many‐site hopping on the microwave field effect

E. Knapp, M. Michel-beyerle, W. Lersch, 1985 .

Charge Transport in the ClC-type Chloride-Proton Anti-porter from Escherichia coli*

E. Knapp, Gernot Kieseritzky, 2010, The Journal of Biological Chemistry.

Superimposé: a 3D structural superposition server

Arno Formella, Philip E. Bourne, Valentin Ziegler, 2008, Nucleic Acids Res..

Lysine 362 in cytochrome c oxidase regulates opening of the K-channel via changes in pKA and conformation.

E. Knapp, A. Woelke, G. Galstyan, 2014, Biochimica et biophysica acta.

Computing pKa Values in Different Solvents by Electrostatic Transformation.

E. Knapp, R. Netz, Emanuele Rossini, 2016, Journal of chemical theory and computation.

Peptide binding at class I major histocompatibility complex scored with linear functions and support vector machines.

Björn Kolbeck, Ernst-Walter Knapp, Henning Riedesel, 2004, Genome informatics. International Conference on Genome Informatics.

Oxygen-evolving Mn cluster in photosystem II: the protonation pattern and oxidation state in the high-resolution crystal structure.

E. Knapp, A. Galstyan, Arturo Robertazzi, 2012, Journal of the American Chemical Society.

Balanced and Bias-Corrected Computation of Conformational Entropy Differences for Molecular Trajectories.

E. Knapp, J. Numata, 2012, Journal of chemical theory and computation.

Can Electron Transfer be Influenced by Protein Dynamics: The Transfer from Cytochrome C to the Special Pair in Photosynthetic Reaction Centers

E. Knapp, L. Nilsson, 1990 .

Prediction using step-wise L1, L2 regularization and feature selection for small data sets with large number of features

Tatsuya Akutsu, Mayumi Kamada, Ernst-Walter Knapp, 2011, BMC Bioinformatics.

Measuring correlations in metabolomic networks with mutual information.

Oliver Ebenhöh, Ernst-Walter Knapp, Jorge Numata, 2008, Genome informatics. International Conference on Genome Informatics.

Exploring the possible role of Glu286 in CcO by electrostatic energy computations combined with molecular dynamics.

E. Knapp, T. Meyer, J. Heberle, 2013, The journal of physical chemistry. B.

Improved pKa prediction: Combining empirical and semimicroscopic methods

E. Knapp, Gernot Kieseritzky, 2008, J. Comput. Chem..

Accurate redox potentials of mononuclear iron, manganese, and nickel model complexes*

E. Knapp, A. Galstyan, 2009, J. Comput. Chem..

Application of the Magnus approximation to inelastic collinear scattering of an atom from a diatomic molecule

E. Knapp, H. Kruger, 1976 .

Symmetric Structures in the Universe of Protein Folds

Connie Wang, Aysam Guerler, Ernst-Walter Knapp, 2009, J. Chem. Inf. Model..

Optimized distance‐dependent atom‐pair‐based potential DOOP for protein structure prediction

Ernst-Walter Knapp, Myong-Ho Chae, Florian Krull, 2015, Proteins.

Models for Self‐Avoiding Polymer Chains on the Tetrahedral Lattice

E. Knapp, D. J. Diestler, Johannes C. B. Dietschreit, 2014 .