Sam P. de Visser

Overview

Best Publications

• Mechanism of oxidation reactions catalyzed by cytochrome p450 enzymes.

  Bernard Meunier;Samuël P de Visser;Sason Shaik

  2856
  Citations

• Theoretical perspective on the structure and mechanism of cytochrome P450 enzymes.

  Sason Shaik;Devesh Kumar;Samuël P. de Visser;and Ahmet Altun

  1372
  Citations

• A Model “Rebound” Mechanism of Hydroxylation by Cytochrome P450: Stepwise and Effectively Concerted Pathways, and Their Reactivity Patterns

  F. Ogliaro;N. Harris;S. Cohen;M. Filatov

  489
  Citations

• Two-state reactivity mechanisms of hydroxylation and epoxidation by cytochrome P-450 revealed by theory.

  Sason Shaik;Samuël P de Visser;François Ogliaro;Helmut Schwarz

  377
  Citations

• A proton-shuttle mechanism mediated by the porphyrin in benzene hydroxylation by cytochrome p450 enzymes.

  Sam P de Visser;Sason Shaik

  367
  Citations

• What factors affect the regioselectivity of oxidation by cytochrome P450? A DFT study of allylic hydroxylation and double bond epoxidation in a model reaction

  Sam P de Visser;François Ogliaro;Pankaz K Sharma;Sason Shaik

  345
  Citations

• External Electric Field Will Control the Selectivity of Enzymatic-Like Bond Activations

  Sason Shaik;Sam P. De Visser;Devesh Kumar

  335
  Citations

• Photoactivation of the photoactive yellow protein: why photon absorption triggers a trans-to-cis Isomerization of the chromophore in the protein.

  Gerrit Groenhof;§ Mathieu Bouxin-Cademartory;Berk Hess;Sam P. de Visser

  329
  Citations

• Searching for the second oxidant in the catalytic cycle of cytochrome P450: a theoretical investigation of the iron(III)-hydroperoxo species and its epoxidation pathways.

  François Ogliaro;Sam P de Visser;Shimrit Cohen;Pankaz K Sharma

  324
  Citations

• A Valence Bond Modeling of Trends in Hydrogen Abstraction Barriers and Transition States of Hydroxylation Reactions Catalyzed by Cytochrome P450 Enzymes

  Sason Shaik;Devesh Kumar;Sam P. de Visser

  278
  Citations

• A predictive pattern of computed barriers for C-H hydroxylation by compound I of cytochrome P450

  Sam P. De Visser;Devesh Kumar;Shimrit Cohen;Ronen Shacham

  262
  Citations

• Propene activation by the oxo-iron active species of taurine/α- ketoglutarate dioxygenase (TauD) enzyme. How does the catalysis compare to heme-enzymes?

  Sam P. de Visser

  229
  Citations

• Theoretical study on the mechanism of the oxygen activation process in cysteine dioxygenase enzymes.

  Devesh Kumar;Devesh Kumar;Walter Thiel;Sam P. de Visser

  222
  Citations

• Active species of horseradish peroxidase (HRP) and cytochrome P450: two electronic chameleons.

  S. P. de Visser;S. Shaik;P. K. Sharma;D. Kumar

  216
  Citations

• Intrinsic properties and reactivities of mononuclear nonheme iron-oxygen complexes bearing the tetramethylcyclam ligand

  Sam P. de Visser;Jan Uwe Rohde;Yong Min Lee;Jaeheung Cho

  212
  Citations

• Trends in substrate hydroxylation reactions by heme and nonheme iron(IV)-oxo oxidants give correlations between intrinsic properties of the oxidant with barrier height

  Sam P. de Visser

  204
  Citations

• Status report on the quantum chemical cluster approach for modeling enzyme reactions

  Unknown

  196
  Citations

• Combined experimental and theoretical study on aromatic hydroxylation by mononuclear nonheme iron(IV)-oxo complexes.

  Sam P. de Visser;Kyungeun Oh;† and Ah-Rim Han;Wonwoo Nam

  193
  Citations

• The mechanism of cysteine oxygenation by cysteine dioxygenase enzymes.

  Swathi Aluri;Sam P. De Visser

  189
  Citations

• Radical Clock Substrates, Their C−H Hydroxylation Mechanism by Cytochrome P450, and Other Reactivity Patterns: What Does Theory Reveal about the Clocks' Behavior?

  Devesh Kumar;Samuël P de Visser;Pankaz K Sharma;Shimrit Cohen

  187
  Citations

• What Factors Influence the Ratio of C¿H Hydroxylation versus C¿C Epoxidation by a Nonheme Cytochrome P450 Biomimetic?

  Sam P. de Visser

  180
  Citations