Boresch, A: search on Z-Library

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1

CHARMM: The biomolecular simulation program

B. R. Brooks, C. L. Brooks III, A. D. Mackerell Jr., L. Nilsson, R. J. Petrella, B. Roux, Y. Won, G. Archontis, C. Bartels, S. Boresch, A. Caflisch, L. Caves, Q. Cui, A. R. Dinner, M. Feig, S. Fischer

Journal:

Journal of Computational Chemistry

Year:

2009

Language:

english

File:

PDF, 1.21 MB

english, 2009

2

Unorthodox uses of Bennett's acceptance ratio method

Gerhard König, Stefan Bruckner, Stefan Boresch

Journal:

Journal of Computational Chemistry

Year:

2009

Language:

english

File:

PDF, 107 KB

english, 2009

3

The effect of density variation on the structure of liquid hydrogen chloride. A Monte Carlo study

Steinhauser, O., Boresch, S., Bertagnolli, H.

Journal:

The Journal of Chemical Physics

Year:

1990

Language:

english

File:

PDF, 647 KB

english, 1990

4

Applications of Noncovariant Gauges in the Algebraic Renormalization Procedure || BACK MATTER

Boresch, A, Moritsch, O, Schweda, M, Sommer, T, Zerrouki, H, Emery, S

Year:

1998

Language:

english

File:

PDF, 5.07 MB

english, 1998

5

Applications of Noncovariant Gauges in the Algebraic Renormalization Procedure || Pole prescriptions, covariant and noncovariant cases

Boresch, A, Moritsch, O, Schweda, M, Sommer, T, Zerrouki, H, Emery, S

Year:

1998

Language:

english

File:

PDF, 3.64 MB

english, 1998

6

Non-Boltzmann sampling and Bennett's acceptance ratio method: How to profit from bending the rules

Gerhard König, Stefan Boresch

Journal:

Journal of Computational Chemistry

Year:

2011

Language:

english

File:

PDF, 133 KB

english, 2011

7

Efficiency of alchemical free energy simulations. II. Improvements for thermodynamic integration

Stefan Bruckner, Stefan Boresch

Journal:

Journal of Computational Chemistry

Year:

2011

Language:

english

File:

PDF, 171 KB

english, 2011

8

Efficiency of alchemical free energy simulations. I. A practical comparison of the exponential formula, thermodynamic integration, and Bennett's acceptance ratio method

Stefan Bruckner, Stefan Boresch

Journal:

Journal of Computational Chemistry

Year:

2011

Language:

english

File:

PDF, 220 KB

english, 2011

9

Avoiding the van der Waals endpoint problem using serial atomic insertion

Stefan Boresch, Stefan Bruckner

Journal:

Journal of Computational Chemistry

Year:

2011

Language:

english

File:

PDF, 123 KB

english, 2011

10

Vector supersymmetry of the superstring in the super-Beltrami parametrization

A. Boresch, M. Schweda, S.P. Sorella

Journal:

Physics Letters B

Year:

1994

Language:

english

File:

PDF, 321 KB

english, 1994

11

Towards a better description and understanding of biomolecular solvation

Stefan Boresch, Sabine Ringhofer, Peter Höchtl, Othmar Steinhauser

Journal:

Biophysical Chemistry

Year:

1999

Language:

english

File:

PDF, 370 KB

english, 1999

12

Free energy simulations: The meaning of the individual contributions from a component analysis

Stefan Boresch, Georgios Archontis, Martin Karplus

Journal:

Proteins: Structure, Function, and Bioinformatics

Year:

1994

Language:

english

File:

PDF, 809 KB

english, 1994

13

Referate

K. G. Zimmer, Schröck, K. Schubert, J. Schwemmle, L. Reuter, Bünning, Karl Boresch, E. Stein, H. Marquardt, L. Geitler, Pätau

Journal:

Theoretical and Applied Genetics

Year:

1946

Language:

german

File:

PDF, 558 KB

german, 1946

14

Photokatalysen in Pflanzen

Journal:

Naturwissenschaften (The Science of Nature)

Year:

1922

Language:

german

File:

PDF, 1.27 MB

german, 1922

15

Referate

Schwanitz, Lang, J. Schwemmle, Piepho, H. Marquardt, Schmidt, Freisleben, H. Stubbe, W. Ludwig, Griesinger, K. G. Zimmer, Ankel, Schröck, Lein, Langendorff, Claes, A. Th. Czaja, Max Onno, Karl Boresch

Journal:

Theoretical and Applied Genetics

Year:

1943

Language:

german

File:

PDF, 2.83 MB

german, 1943

16

Zur graphischen Registrierung der Transpiration von Blättern

Journal:

Year:

1933

Language:

german

File:

PDF, 2.12 MB

german, 1933

17

Über die Beziehung zwischen Wachstumsfaktor und Ertrag

Journal:

Year:

1926

Language:

german

File:

PDF, 1.61 MB

german, 1926

18

Presumed versus real artifacts of the Ewald summation technique: The importance of dielectric boundary conditions

Stefan Boresch, Othmar Steinhauser

Journal:

Berichte der Bunsengesellschaft für physikalische Chemie

Year:

1997

Language:

english

File:

PDF, 1.04 MB

english, 1997

19

Über den Phosphorstoffwechsel raschwüchsiger Nährhefen

Willibald Diemair, C. Boresch

Journal:

Analytical and Bioanalytical Chemistry

Year:

1950

Language:

german

File:

PDF, 433 KB

german, 1950

20

Literatur

F. Honcamp, H. Pringsheim, A. Steingroever, W. Halden, A. Schäffner, K. Boresch, H. Ullrich, H. Stremme, A. Gehring, C. Stapp, A. Rippel, E. Hiltner, E. K. Feichtinger, E. Möller-Arnold, J. Hasenbäume

Journal:

Analytical and Bioanalytical Chemistry

Year:

1932

Language:

german

File:

PDF, 170 KB

german, 1932

21

Frühtreiben und experimentelle Tumorerzeugung

Journal:

Journal of Cancer Research and Clinical Oncology

Year:

1929

Language:

german

File:

PDF, 928 KB

german, 1929

22

Correspondenz

Journal:

Plant Systematics and Evolution

Year:

1887

File:

PDF, 131 KB

1887

23

Referate

v. Schröder, Karl Boresch, K. Dirr, R. Ammon, Diemair, Griebel, Schwaibold, G. Mall, Felicitas Rolleri, Kanitz, O. Windhausen, K. Felix, von Querner, W. Ludorff, E. Fischbach, W. Sutthoff, Frey-Wyssli

Journal:

European Food Research and Technology

Year:

1940

Language:

german

File:

PDF, 3.74 MB

german, 1940

24

Ein beitrag zur biologischen fettsynthese

W. Diemair, C. Boresch

Journal:

European Food Research and Technology

Year:

1950

Language:

german

File:

PDF, 1.32 MB

german, 1950

25

The conformal symmetry generated by equal-time commutators

A. Boresch, K. Landsteiner, O. Piguet, M. Schweda

Journal:

Il Nuovo Cimento A (1971-1996)

Year:

1993

Language:

english

File:

PDF, 567 KB

english, 1993

26

The Meaning of Component Analysis: Decomposition of the Free Energy in Terms of Specific Interactions

S. Boresch, M. Karplus

Journal:

Journal of Molecular Biology

Year:

1995

Language:

english

File:

PDF, 280 KB

english, 1995

27

Superstrings from Hamiltonian reduction

A. Boresch, K. Landsteiner, W. Lerche, A. Sevrin

Journal:

Nuclear Physics B

Year:

1995

Language:

english

File:

PDF, 1.11 MB

english, 1995

28

A targeted molecular dynamics study of WPD loop movement in PTP1B

Shina Caroline Lynn Kamerlin, Robert Rucker, Stefan Boresch

Journal:

Biochemical and Biophysical Research Communications

Year:

2006

Language:

english

File:

PDF, 615 KB

english, 2006

29

A molecular dynamics study of WPD-loop flexibility in PTP1B

Shina Caroline Lynn Kamerlin, Robert Rucker, Stefan Boresch

Journal:

Biochemical and Biophysical Research Communications

Year:

2007

Language:

english

File:

PDF, 631 KB

english, 2007

30

Comparative modeling of GABAA receptors: limits, insights, future developments

M Ernst, D Brauchart, S Boresch, W Sieghart

Journal:

Year:

2003

Language:

english

File:

PDF, 782 KB

english, 2003

31

Comparison of thermodynamic integration and Bennett acceptance ratio for calculating relative protein-ligand binding free energies

de Ruiter, Anita, Boresch, Stefan, Oostenbrink, Chris

Journal:

Journal of Computational Chemistry

Year:

2013

Language:

english

File:

PDF, 749 KB

english, 2013

32

Absolute Hydration Free Energies of Blocked Amino Acids: Implications for Protein Solvation and Stability

König, Gerhard, Bruckner, Stefan, Boresch, Stefan

Journal:

Biophysical Journal

Year:

2013

Language:

english

File:

PDF, 222 KB

english, 2013

33

The Role of Bonded Terms in Free Energy Simulations: 1. Theoretical Analysis

Boresch, Stefan, Karplus, Martin

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 178 KB

english, 1999

34

The Role of Bonded Terms in Free Energy Simulations. 2. Calculation of Their Influence on Free Energy Differences of Solvation

Boresch, Stefan, Karplus, Martin

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 179 KB

english, 1999

35

Hydration Free Energies of Amino Acids: Why Side Chain Analog Data Are Not Enough

König, Gerhard, Boresch, Stefan

Journal:

Journal of Physical Chemistry B

Year:

2009

Language:

english

File:

PDF, 168 KB

english, 2009

36

Comments on “Anomalous Dielectric Relaxation of Aqueous Protein Solutions” by Nilashis Nandi and Biman Bagchi ( J. Phys. Chem. A 1998, 102 , 8217)

Boresch, S., Steinhauser, O.

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 20 KB

english, 2001

37

Absolute Binding Free Energies: A Quantitative Approach for Their Calculation

Boresch, Stefan, Tettinger, Franz, Leitgeb, Martin, Karplus, Martin

Journal:

Journal of Physical Chemistry B

Year:

2003

Language:

english

File:

PDF, 217 KB

english, 2003

38

Transport and dielectric properties of water and the influence of coarse-graining: Comparing BMW, SPC/E, and TIP3P models

Braun, Daniel, Boresch, Stefan, Steinhauser, Othmar

Journal:

The Journal of Chemical Physics

Year:

2014

Language:

english

File:

PDF, 1.02 MB

english, 2014

39

Multiscale Free Energy Simulations: An Efficient Method for Connecting Classical MD Simulations to QM or QM/MM Free Energies Using Non-Boltzmann Bennett Reweighting Schemes

König, Gerhard, Hudson, Phillip S., Boresch, Stefan, Woodcock, H. Lee

Journal:

Journal of Chemical Theory and Computation

Year:

2014

Language:

english

File:

PDF, 1.12 MB

english, 2014

40

Unexpected Relative Aqueous Solubilities of a Phosphotyrosine Analogue and Two Phosphonate Derivatives

Boresch, Stefan, Leitgeb, Martin, Beselman, Aleksandra, MacKerell, Alexander D.

Journal:

Journal of the American Chemical Society

Year:

2005

Language:

english

File:

PDF, 171 KB

english, 2005

41

Enhanced Sampling in Free Energy Calculations: Combining SGLD with the Bennett’s Acceptance Ratio and Enveloping Distribution Sampling Methods

König, Gerhard, Miller, Benjamin T., Boresch, Stefan, Wu, Xiongwu, Brooks, Bernard R.

Journal:

Journal of Chemical Theory and Computation

Year:

2012

Language:

english

File:

PDF, 937 KB

english, 2012

42

Studying the Dielectric Properties of a Protein Solution by Computer Simulation

Boresch, S., Höchtl, P., Steinhauser, O.

Journal:

Journal of Physical Chemistry B

Year:

2000

Language:

english

File:

PDF, 109 KB

english, 2000

43

Nonadditive Monte Carlo Simulation of Liquid Hydrogen Chloride Difference Algorithm and Parallel Implementation

Steinhauser, O., Boresch, S., Bertagnolli, H.

Journal:

Molecular Simulation

Year:

1991

Language:

english

File:

PDF, 794 KB

english, 1991

44

Efficiently computing pathway free energies: New approaches based on chain-of-replica and Non-Boltzmann Bennett reweighting schemes

Hudson, Phillip S., White, Justin K., Kearns, Fiona L., Hodoscek, Milan, Boresch, Stefan, Lee Woodcock, H.

Journal:

Biochimica et Biophysica Acta (BBA) - General Subjects

Year:

2015

Language:

english

File:

PDF, 1.28 MB

english, 2015

45

Dielectric properties of glucose and maltose solutions

Höchtl, P., Boresch, S., Steinhauser, O.

Journal:

The Journal of Chemical Physics

Year:

2000

Language:

english

File:

PDF, 1.40 MB

english, 2000

46

Rationalizing the effects of modified electrostatic interactions in computer simulations: The dielectric self-consistent field method

Boresch, Stefan, Steinhauser, Othmar

Journal:

The Journal of Chemical Physics

Year:

1999

Language:

english

File:

PDF, 289 KB

english, 1999

47

Simulation studies of the protein-water interface. I. Properties at the molecular resolution

Schröder, C., Rudas, T., Boresch, S., Steinhauser, O.

Journal:

The Journal of Chemical Physics

Year:

2006

Language:

english

File:

PDF, 614 KB

english, 2006

48

A molecular dynamics study of the dielectric properties of aqueous solutions of alanine and alanine dipeptide

Boresch, Stefan, Willensdorfer, Martin, Steinhauser, Othmar

Journal:

The Journal of Chemical Physics

Year:

2004

Language:

english

File:

PDF, 421 KB

english, 2004

49

Influence of the treatment of electrostatic interactions on the results of free energy calculations of dipolar systems

Brunsteiner, Michael, Boresch, Stefan

Journal:

The Journal of Chemical Physics

Year:

2000

Language:

english

File:

PDF, 269 KB

english, 2000

50

Rationalization of the dielectric properties of common three-site water models in terms of their force field parameters

Höchtl, Peter, Boresch, Stefan, Bitomsky, Wolfgang, Steinhauser, Othmar

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 458 KB

english, 1998