Stefan Fischer, publication list  (*:  as corresponding author)

h-index = 34

19'547 citations



112.          W. Lehman, X. Li, F. A. Kiani, J. R. Moore, S. G. Campbell, S. Fischer, and M. J. Rynkiewicz
Precise binding of tropomyosin on actin involves sequence-dependent variance in coiled-coil twisting.
Biophysical J. 115, 1082-1092 (2018).

111.     F. A. Kiani, W. Lehman, S. Fischer*, M. J. Rynkiewicz.
Spontaneous transitions of actin-bound tropomyosin toward blocked and closed states.
J. General Physiology , DOI: 10.1085/jgp.201812188 (2018).

110.          Tabeer Fatima, Sadaf Rani, Stefan Fischer, Thomas Efferth, F. A. Kiani.
The hydrolysis of 6-phosphogluconolactone in the second step of pentose phosphate pathway occurs via a two-water mechanism.
Biophysical Chemistry 240, 98-106 (2018).

109.          F. A. Kiani, M. J. Rynkiewicz, S. Fischer, W. Lehman.
Tropomyosin translocation on F-Actin revealed by Molecular Dynamics simulations.
Biophysical J. 114(3), 136a  (2018).

108.          M. J. Rynkiewicz, T. Prum, S. Hollenberg, F. A. Kiani, P. M. Fagnant, S. B. Marston, K. M. Trybus, S. Fischer, J. R. Moore, W. Lehman.
Tropomyosin must interact weakly with actin to effectively regulate thin filament function.
Biophysical J. 113, 2444-2451 (2017).

107.          Hammad Ali Hassan, Sadaf Rani, Tabeer Fatima, Farooq A. Kiani, Stefan Fischer.
Effect of protonation on the mechanism of phosphate monoester hydrolysis and comparison with the hydrolysis of nucleoside triphosphate in biomolecular motors.
Biophysical Chemistry 230, 27-35 (2017).

106.          F.A. Kiani & S. Fischer*.
Effects of protonation on the hydrolysis of triphosphate in vacuum and the implications for catalysis by nucleotide hydrolyzing enzymes.
BMC Biochemistry 17:12, DOI 10.1186/s12858-016-0068-7 (2016).

105.          F.A. Kiani & S. Fischer*.
Comparing the catalytic strategy of ATP hydrolysis in biomolecular motors.
Phys. Chem. Chem. Phys. 18, 20219-20233 (2016).

104.          M. J. Rynkiewicz, S. Fischer*, W. Lehman.
The propensity for tropomyosin twisting in the presence and absence of F-actin.
Archiv. of Biochem. and Biophys. 609, 51–58 (2016).

103.          F.A. Kiani & S. Fischer*.
ATP-dependent Interplay between Local and Global Conformational Changes in the Myosin Motor.
Cytoskeleton 73, 643-651, doi :10.1002/cm.21333 (2016).

102.          S. Fischer*, M. J. Rynkiewicz, Jeffrey R. Moore, W. Lehman.
Tropomyosin diffusion over actin subunits facilitates thin filament assembly.
Structural Dynamics 3, 012002; doi: 10.1063/1.4940223 (2016).

101.          M. J. Rynkiewicz, V.Schott, M. Orzechowski, S. Fischer*, W. Lehman.
Does tropomyosin slide or roll over F‑actin during regulatory transitions.
Biophys. J. 110, 524a (2016).

100.          F. A. Kiani & S. Fischer*.
Advances in Quantum Simulations of ATPase Catalysis in the Myosin Motor.
Current Opin. Struct. Biol. 31, 115-123 (2015).

99.       M. J. Rynkiewicz, V. Schott, M. Orzechowski, W. Lehman, S. Fischer*.
Electrostatic Interaction Map Reveals a New Binding Position for Tropomyosin on F-actin.
J. Muscle Res. and Cell Motility 36, 525-533 (2015).

98.       T. Wolter, M. Elstner, S. Fischer, J.C. Smith, A.N. Bondar.
Mechanism by which Untwisting of Retinal Leads to Productive Bacteriorhodopsin Photocycle States.
J. Phys. Chem. B 119, 2229-2240 (2015).

97.       W. Lehman, G. Medlock, X. E. Li, W. Suphamungmee, A.-Y. Tu, A. Schmidtmann, Z. Ujfalusi, S. Fischer, J. R Moore, M. A Geeves, M. Regnier .
Phosphorylation of Ser283 enhances the stiffness of the tropomyosin head-to-tail overlap domain.
Archiv. of Biochem. and Biophys. 571, 10–15 (2015).

96.       M. Orzechowski, G.P. Farman, J.R. Moore, S. Fischer, W. Lehman.
Energy Landscapes Reveal the Myopathic Effects of Tropomyosin Mutations.
Biophys. J. 108, 422a, (2015).

95.       Gerrie P Farman, Marek Orzechowski, Stefan Fischer, Lehman William, Jeffrey R Moore
Serine 61 Phosphorylation Rescues Cardiomyopathic Effects of Tropomyosin Mutation.
Biophys. J. 108, 446a–447a, (2015).

94.       F. A. Kiani & S. Fischer*.
The catalytic strategy used by the myosin motor to hydrolyze ATP.
Proceedings Natl. Acad. Sciences (USA) , DOI: 10.1073/pnas.1401862111 (2014).

93.       M. Orzechowski, S. Fischer, J. R. Moore, W. Lehman & G. P. Farman.
Energy landscapes reveal the myopathic effects of tropomyosin mutations.
Archiv. Biochem. Biophys. 564, 89-99 (2014).

92.       M. Orzechowski, X.E. Li, S. Fischer*, W. Lehman.
An Atomic Model of the Tropomyosin Cable on F-actin.
Biophys. J. 107, 694-699 (2014).

91.       X.E. Li , M. Orzechowski, W. Lehman, S. Fischer*.
Structure and flexibility of the tropomyosin overlap junction.
Biochem. Biophys. Res. Commun. 446, 304-308 (2014 ).

90.       M. Orzechowski, J.R. Moore, S. Fischer* & W. Lehman.
Tropomyosin movement on F-actin during muscle activation explained by energy landscapes.
Archiv. Biochem. Biophys. 545, 63-68 (2014).

89.       W. Lehman, Xiaochuan E. Li, M. Orzechowski, S. Fischer*.
The structural dynamics of a-tropomyosin on F-actin shape the overlap complex between adjacent tropomyosin molecules.
Archiv. Biochem. Biophys.. 552-553, p. 68-73 (2014).

88.       F. A. Kiani & S. Fischer*.
The catalytic strategy of P–O bond cleaving enzymes:  comparing EcoRV and myosin.
In "Molecular Catalysts: Structure and Functional Design", Editors: Lutz H. Gade and Peter Hofmann. John Wiley & Sons, Inc. (2014).

87.       F. A. Kiani & S. Fischer*.
Stabilization of the ADP/metaphosphate intermediate during ATP hydrolysis in pre-power stroke myosin: quantitative anatomy of an enzyme.
J. Biol. Chem. 288, 35569-35580 (2013).

86.       Lehman, W., Orzechowski, M., Fischer, S. and Raunser, S.
Gestalt-binding of tropomyosin on actin during thin filament activation.
J. Muscle. Res. Cell. Motil
34, 155-163 (2013).

85.       Orzechowski, M., Fischer, S.* and Lehman, W.
Influence of actin mutation on the energy landscape of actin–tropomyosin filaments.
Biophys. J. 104, 480a.

84.       Q. Sun, Z. Li, Z. Lan, C. Pfisterer, M. Doerr, S. Fischer*, S. C. Smith & W. Thiel.
Isomerization mechanism of the HcRed fluorescent protein chromophore.
Phys. Chem. Chem. Phys. 14, 11413–11424 (2012).

83.       Li XE, Suphamungmee W, Janco M, Geeves MA, Marston SB, Fischer S, Lehman W.
The flexibility of two tropomyosin mutants, D175N and E180G, that cause hypertrophic cardiomyopathy.
Biochem. Biophys. Res. Commun. 424(3), 493-6 (2012 ).

82.       Li XE, Lehman W, Fischer S*.
Geometry of the C-/N-Terminal Connection of Tropomyosin on F-Actin Based on Molecular Dynamics Simulations of the Thin Filament.
Biophys. J. 102(3), p. 155a  (2012 ).

81.       M. Orzechowski, S. Raunser, S. Fischer*, W. Lehman.
Tropomyosin Movement on F-actin Analyzed by Energy Landscape Determination.
Biophysical J. 102(3), p. 17a (2012).

80.       S. Kühner  &  S. Fischer*.
Structural mechanism of the ATP‑induced dissociation of rigor myosin from actin.
Proceedings Natl. Acad. Sciences USA 108, 7793-7798 (2011).

79.       S. Fischer*, K.W. Olsen, K. Nam, M. Karplus.
The Unsuspected Pathway of the Allosteric Transition in Hemoglobin.
Proceedings Natl. Acad. Sciences USA 108, 5608-5613 (2011).

78.       J. R. Moore, X. E. Li, J. Nirody, S. Fischer*, W. Lehman.
Structural implications of conserved aspartate residues located in tropomyosin's coiled-coil core.
BioArchitecture 1:5, 250-255 (2011).

77.       A.-N. Bondar, M. Knapp-Mohammady, S. Suhai, S. Fischer, J. C. Smith
Ground-state properties of the retinal molecule: from quantum mechanical to classical mechanical computations of retinal proteins.
Theor Chem Acc 130, 1169-1183 (2011).

76.       X. Li, L. S. Tobacman, J. Y. Mun, R. Craig, S. Fischer, W. Lehman.
Tropomyosin Position on F-Actin Revealed by EM Reconstruction and Computational Chemistry.
Biophysical J. 100, 1005-1013 (2011).

75.       A.-N. Bondar, S. Fischer, J.C. Smith.
Water Pathways in the Bacteriorhodopsin Proton Pump.
J. Membrane Biol. 239, 73-84 (2011).

74.       M. Orzechowski, S. Fischer*, W. Lehman.
Structural Simulations of Troponin-Regulated Tropomyosin Movement on F-Actin.
Biophysical J. 100(3), p. 586a-587a (2011).

73.       X. E. Li, S. Fischer*, W. Lehman.
Molecular Dynamics of Tropomyosin Bound to F-Actin.
Biophysical J. 100(3), p. 587a, (2011).

72.       X. E. Li, L. S. Tobacman, J. Young Mun, R. Craig, S. Fischer*, W. Lehman.
Atomic Model of F-Actin-Tropomyosin.
Biophysical J. 100(3), p. 586a (2011).

71.       X. Li, K.C. Holmes, W. Lehman, H. Jung, S. Fischer*
The shape and flexibility of tropomyosin coiled-coils: implication for actin filament assembly and regulation.
J. Mol. Biol. 395, 327-339 (2010).

70.       X. Li, W. Lehman, S. Fischer*.
The relationship between curvature, flexibility and persistence length in the tropomyosin coiled-coil.
J. Structural Biol. 170, 313-318 (2010).

69.       Q. Sun, S. Wang, H. Zhang, Z. Li, C. Pifisterer, S. Fischer, S. Nanbu, S. C. Smith.
Structural and Relaxation Effects in Proton Wire Energetics: Model Studies of the Green Fluorescent Protein Photocycle.
Austral. J. Chem. 63, 363-370 (2010).

68.       X. Li, W. Lehman, S. Fischer, K. C. Holmes.
Curvature variation along the tropomyosin molecule.
J. Structural Biol. 170, 307-312 (2010).

67.       C. Pfisterer, A. Gruia, S. Fischer*
The mechanism of photo-energy storage in the halorhodopsin chloride pump.
J. Biol. Chem. 284, 13562-13569 (2009).

66.       P. Imhof, S. Fischer*, J.C. Smith
Catalytic mechanism of DNA backbone cleavage by the restriction enzyme EcoRV: a quantum mechanical/molecular mechanical analysis.
Biochemistry 48, 9061-9075 (2009).

65.       B.R.Brooks, S. Fischer, et al.
CHARMM: The biomolecular simulation program.
J. Comp. Chem. 30, 1545-1614 (2009).

64.       Jasmine Nirody, Xiaochuan Li, Duncan Sousa, John Sumida, Stefan Fischer*, Sherwin S. Lehrer, William Lehman.
Electron Microscopy and Molecular Dynamics on a D137L Mutant of Tropomyosin.
Biophysical J. 98(3), p. 414a (2009).

63.       Xiaochuan Li, William Lehman, Kenneth C. Holmes, Stefan Fischer*.
Molecular Dynamics of Tropomyosin: Implications for the Assembly and Regulation of Thin Filaments.
Biophysical J. 96(3), p. 201a (2009).

62.       A.N. Bondar, J. Baudry, S. Suhai, S. Fischer, J.C. Smith.
Key role of water molecules in bacteriorhodopsin proton transfer reactions.
J. Phys. Chem. B 112, 14729-14741 (2008).

61.       F. Noe &  S. Fischer*
Transition networks for modeling the kinetics of conformational change in macromolecules.
Current Opinion in Struct. Biol. 18, 154-162 (2008).

60.       M. Gyimesi, B. Kintses, A. Bodor, A. Perczel, S. Fischer, C.R. Bagshaw & A. Malnasi-Csizmadia.
The mechanism of the reverse recovery-step, phosphate release and actin activation of dictyostelium myosin II.
J. Biol. Chem. 283, 8153-8163 (2008).

59.       S. Koppole, J.C. Smith & S. Fischer*
The structural coupling between ATPase activation and recovery-stroke in the Myosin II motor.
Structure 15, 825-837 (2007).

58.       S. Mesentean, S. Koppole, J.C. Smith & S. Fischer*
The principal motions involved in the coupling mechanism of the recovery stroke of the myosin motor.
J. Mol. Biol. 367, 591-602 (2007).

57.       R. Friedman, S. Fischer, E. Nachliel, S. Scheiner & M. Gutman
Minimum energy pathways for proton-transfer between adjacent sites exposed to water.
J. Phys. Chem. B 111, 6059-6070 (2007).

56.       A.N. Bondar, S. Suhai, S. Fischer, J.C. Smith & M. Elstner.
Suppression of the proton-transfer from Asp85 to the retinal Schiff base in bacteriorhodopsin: a theoretical analysis of structural elements.
J. Struct. Biol. 157, 454-469 (2007).

55.       F. Kiani, S. Schwarzl, S. Fischer & T. Efferth.
Three-dimensional modeling of glucose-6-phosphate dehydrogenase-deficient variants from German ancestry.
PLoS ONE 2(7), e625 (2007).

54.       S. Koppole, J.C. Smith & S. Fischer*.
Simulations of the myosin II motor reveal a nucleotide-state sensing element that controls the recovery stroke.
J. Mol. Biol. 361, 604-616 (2006).

53.       S.M. Schwarzl, J.C. Smith & S. Fischer*.
Insights into the chemomechanical coupling of the myosin motor from simulation of its ATPase mechanism.
Biochemistry 45, 5830-5847 (2006).

52.       S. Mesentean, J.C. Smith & S. Fischer*.
Analyzing large-scale structural change in proteins: comparison of principal component projection and Sammon mapping.
Proteins 64, 210-218 (2006).

51.       F. Noe, D. Krachtus, J.C. Smith & S. Fischer*.
Transition networks for the comprehensive characterization of complex conformational change in proteins.
J. Chem. Theory & Comp. 2, 840-857 (2006).

50.       A.N. Bondar, J.C. Smith & S. Fischer*.
Structural and energetic determinants of primary proton transfer in bacteriorhodopsin.
Photochem. Photobiol. Sciences 5, 547-552 (2006).

49.       P. Imhof, F. Noe, S. Fischer & J.C. Smith.
AM1/d parameters for Magnesium in Metalloenzymes.
J. Chem. Theory & Comp. 2, 1050-1056 (2006).

48.       F. Noe, M. Oswald, G. Reinelt, S. Fischer* & J.C. Smith.
Computing best transition pathways in high-dimensional dynamical systems:  application to the  aL → b →  aR  transition in octaalanine.
J. Multiscale Modeling & Simulation 5, 393-419 (2006).

47.       L. Walewski, D. Krachtus, S. Fischer, J.C. Smith, P. Bala & B. Lesyng.
SCC-DFTB Energy Barriers for Single and Double Proton Transfer Processes in the Model Molecular Systems Malonaldehyde and Porphycene.
Int. J. Quant. Chem. 106, 636-640 (2006).

46.       J.C. Smith, T. Becker, S. Fischer, F. Noe, A.L. Tournier, G.M. Ullmann & V. Kurkal.
Physical and functional aspects of protein dynamics.
Soft Condensed Matter Physics in Molecular and Cell Biology, 225-241, ed. Poon & Andelman, Taylor&Francis (2006).

45.       S. Fischer*, B. Windshuegel, D. Horak, K.C. Holmes & J.C. Smith.
Structural mechanism of the recovery stroke in the Myosin molecular motor.
Proceedings Natl. Acad. Sciences USA 102, 6873-6878 (2005).

44.       F. Noe, F. Ille, J.C. Smith & S. Fischer*.
Automated computation of low-energy pathways for complex rearrangements in proteins: Application to the conformational switch of Ras p21.
Proteins 59, 534-544 (2005).

43.       A.D. Gruia, A.N. Bondar,  J.C. Smith & S. Fischer*.
Mechanism of a molecular valve in the halorhodopsin chloride pump.
Structure 13, 617-627 (2005).

42.       S.M. Schwarzl, D. Huang, J.C. Smith & S. Fischer*.
Non-Uniform Charge Scaling (NUCS): a practical approximation of solvent electrostatic screening in proteins.
J. Comput. Chem. 26, 1359-1371 (2005).

41.       F. Gräter, S.M. Schwarzl, A. Dejaegere, S. Fischer* & J.C. Smith.
Protein/Ligand Binding Free Energies Calculated With Quantum Mechanics/Molecular Mechanics.
J. Phys. Chem. B 109, 10474-10483 (2005).

40.       A.N. Bondar, S. Fischer*, S. Suhai & J.C. Smith.
Tuning of retinal twisting in bacteriorhodopsin controls the directionality of the early photocycle steps.
J. Phys. Chem. B 109, 14786-14788 (2005).

39.       A.N. Bondar, J.C. Smith & S. Fischer*.
QM/MM investigation of the hydrogen-bonding interactions in the putative K and early‑M intermediates of the bacteriorhodopsin photocycle.
Phase Transitions 78, 671-675 (2005).

38.       C.S. Verma & S. Fischer.
Protein stability & ligand binding: new paradigms from in-silico experiments.
Biophys. Chem. 115, 295-302 (2005).

37.       P. Imhof, S. Fischer*, R. Kraemer & J.C. Smith.
Density Functional Theory analysis of Dimethylphosphate hydrolysis: effect of solvation and nucleophile variation.
Journal of Molecular Structure: THEOCHEM 713, 1-5 (2005).

36.       A.N. Bondar, M. Elstner, S. Suhai, S. Fischer* & J.C. Smith.
Direct proton transfer in a putative L-state intermediate of the bacteriorhodopsin photocycle.
Phase Transitions 78, 5-9 (2005).

35.       A.N. Bondar, M. Elstner, S. Suhai, J.C. Smith & S. Fischer*.
Mechanism of primary proton transfer in bacteriorhodopsin.
Structure 12, 1281-1288 (2004).

34.       A.N. Bondar, S. Fischer, J.C. Smith, M. Elstner & S. Suhai.
The key role of electrostatic interactions in bacteriorhodopsin proton transfer.
J. Am. Chem. Soc. 126, 14668-14677 (2004).

33.       J.C. Smith, F. Merzel, A.N. Bondar, A. Tournier & S. Fischer.
Structure, dynamics and reactions of protein hydration water.
Phil. Trans. Royal Soc. Lond. B 359, 1181-1190 (2004).

32.       A.D. Gruia, S. Fischer* & J.C. Smith.
Kinetics of breaking a salt-bridge critical  in protein unfolding .
Chem. Phys. Letters 385, 337-340 (2004).

31.       N. Bondar, M. Elstner, S. Fischer*, J.C. Smith & S. Suhai.
Can coordinate driving describe proton transfer coupled to complex protein motions?
Phase Transitions 77, 47-52 (2004).  abstract

30.       S. M. Schwarzl, S. Fischer* & J.C. Smith.
Solvent electrostatic screening in protein simulations.
In "Bioinformatics of Genome Regulation and Structure", p. 179-184, Editors: N. Kolchanov & R. Hofestaedt. Springer US. (2004).

29.       F. Noe, S.M. Schwarzl, S. Fischer and J.C. Smith.
Computational tools for analyzing structural changes in proteins in solution.
Applied Bioinformatics 2, s11-s17 (2003).

28.       T. Becker, S. Fischer, F. Noe, A. Tournier, M. Ullmann & J.C. Smith.
Protein dynamics: Glass transition and mechanical function.
Advances in Solid State Physics 43, 677-694 (2003).

27.       S.M. Schwarzl, D. Huang, J.C. Smith & S. Fischer*.
How well does charge reparameterization account for solvent screening in molecular mechanics calculations? The example of myosin.
In Silico Biol. 3, 187-196 (2003).

26.       A.D. Gruia, S. Fischer* & J.C. Smith.
Molecular dynamics simulation reveals a surface salt-bridge  forming a kinetic trap in unfolding of truncated staphylococcal nuclease.
Proteins 50, 507-515 (2003).  abstract

25.       R. Dutzler, T. Schirmer, M. Karplus &  S. Fischer*.
Translocation mechanism of long sugar chains across the maltoporin membrane channel.
Structure 10, 1273-1284 (2002).  abstract

24.       J.C. Smith, F. Merzel, C.S. Verma and S. Fischer.
Protein hydration water: structure and thermodynamics.
Journal of Molecular Liquids 101/1-3, 27-33 (2002).

23.       S.M. Schwarzl, T.B. Tschopp, J.C. Smith & S. Fischer*.
Can the calculation of ligand binding free energies be improved with continuum solvent electrostatics and an ideal-gas entropy correction ?
J. Comput. Chem. 23, 1143-1149 (2002).  abstract

22.       A.L. Tournier, D. Huang, S.M. Schwarzl, S. Fischer & J.C. Smith.
Time-resolved computational protein biochemistry: Solvent effects on interactions, conformational transitions and equilibrium fluctuations.
Faraday Discuss. 122, 243-251 (2002).

21.       A.D. Gruia, S. Fischer & J.C. Smith.
Computer Simulation of Protein Unfolding.
High Performance Computing in Science and Engineering'01, 260-268, ed. Krause & Jaeger, Springer (2002).

20.       S. Fischer*, J. Smith & C. Verma.
Dissecting the vibrational entropy change on protein/ligand binding :  burial of a water molecule in bovine pancreatic trypsin inhibitor.
J. Phys. Chem. B 105, 8050-8055 (2001).  abstract

19.       N. Bondar, R. Daniel, J.L. Finney, S. Fischer, M. Kataoka, A. Petrescu & J. Smith.
Protein folding and dynamics - new insights from computer simulation and scattering experiments.
J. Phys. Soc. Japan 70, Suppl.A pp. 392-395 (2001).

18.       J. Sopkova, S. Fischer, C. Guilbert, A. Lewit-Bentley & J.C. Smith.
Pathway for large-scale conformational change in annexin V.
Biochemistry 39, 14065-14074, (2000).  abstract

17.       K. Olsen, S. Fischer* & M. Karplus.
A continuous path for the T®R allosteric transition of hemoglobin.
Biophysical J. 78, 394A (2000).  abstract

16.       S. Fischer*  & C. Verma.
Binding of buried structural water increases the flexibility of proteins.
Proceedings Natl. Acad. Sciences USA 96, 9613-9615 (1999).  abstract

15.       Blondel, J-P. Renaud, S. Fischer, D. Moras & M. Karplus.
Retinoic acid receptor: a simulation analysis of retinoic acid binding and resulting conformational conformational changes.
J. Mol. Biol. 291, 101-115 (1999).  abstract

14.       M. Hennig, G.E. Dale, A. D'arcy, F. Danel, S. Fischer, C.P. Gray, S. Jolidon, F. Muller, M.G. Page, P. Pattison, C. Oefner.
The structure and function of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase from Haemophilus influenziae.
J. Mol. Biol. 287, 211-219 (1999).  abstract

13.       A.D. MacKerell, S. Fischer et al.
All-atom empirical potential for molecular modeling and dynamics studies of proteins.
J. Phys. Chem. B 102, 3586-3616 (1998).  abstract

12.       S. Fischer.
A take-off technique for strong wind conditions.
Parapente Mag 59, p. 3 (1998).

11.       H.J. Böhm & S. Fischer.
De novo ligand design.
Encyclopedia of Computational Chemistry, John Wiley & Sons, New York (1998).

10.       S. Fischer*, C. S. Verma & R.E. Hubbard.
Rotation of structural water inside a protein : calculation of the rate and vibrational entropy of activation.
J. Phys. Chem. B 102, 1797-1805 (1998).  abstract

9.         Caflisch, S. Fischer & M. Karplus.
Docking by Monte-Carlo Minimization with a Solvation Correction: Application to an FKBP-substrate complex.
J. Comput. Chem. 18, 723-743 (1997).  abstract

8.         E. Neria, S. Fischer & M. Karplus.
Simulation of activation free energies in molecular systems.
J. Chem. Physics 105, 1902-1921 (1996).  abstract

7.         C. S. Verma, S. Fischer*, L. Caves, G.C.K. Roberts & R.E. Hubbard.
Calculation of the reaction pathway for the aromatic ring-flip in methotrexate complexed to dihydrofolate reductase.
J. Phys. Chemistry 100, 2510-2518 (1996).  abstract

6.         S. Fischer, P.D.J. Grootenhuis, L.C. Groenen, W.P. vanHoorn, F.C.J.M. vanVeggel, D.N. Reinhoudt & M. Karplus.
Pathways for conformational interconversion of calix[4]arenes.
J. Am. Chem. Soc. 117, 1611-1620 (1995).  abstract

5.         S. Fischer, R. Dunbrack & M. Karplus.
Cis-trans imide isomerization in the proline dipeptide.
J. Am. Chem. Soc. 116, 11931-11937 (1994).  abstract

4.         S. Fischer, S. Michnick & M. Karplus.
A mechanism for rotamase catalysis by the FK506 binding protein (FKBP).
Biochemistry 32, 13830-13837 (1993).

3.         S. Fischer & M. Karplus.
Conjugate Peak Refinement : an algorithm for finding reaction paths and accurate transition states in systems with many degrees of freedom.
Chemical Physics Letters 194, 252-261 (1992).  abstract 

2.         S. Fischer.
Curvilinear reaction-coordinates of conformational change in macromolecules: application to rotamase catalysis.  Ph.D. thesis, Harvard University.
University Microfilms Inc., Ann Arbor (1992).

1.         S. Fischer.
Trajectory Refinement Algorithms (TRAvel) code and documentation, distributed with the program CHARMM, © Harvard University (1991).


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