Sason Shaik

According to our database, Sason Shaik authored at least 13 papers between 2004 and 2022.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of five.

2022

Local Electric Fields Dictate Function: The Different Product Selectivities Observed for Fatty Acid Oxidation by Two Deceptively Very Similar P450-Peroxygenases OleT and BSβ.

Shalini Yadav, Sason Shaik, Shakir Ali Siddiqui, Surajit Kalita, Kshatresh Dutta Dubey

J. Chem. Inf. Model., 2022

2020

TITAN: A Code for Modeling and Generating Electric Fields - Features and Applications to Enzymatic Reactivity.

Thijs Stuyver, Jing Huang, Dibyendu Mallick, David Danovich, Sason Shaik

J. Comput. Chem., 2020

2019

Attraction between electrophilic caps: A counterintuitive case of noncovalent interactions.

Changwei Wang, David Danovich, Sason Shaik, Wei Wu, Yirong Mo

J. Comput. Chem., 2019

2018

Hydrogen- and Halogen-Bonds between Ions of like Charges: Are They Anti-Electrostatic in Nature?

Changwei Wang, Yuzhuang Fu, Lina Zhang, David Danovich, Sason Shaik, Yirong Mo

J. Comput. Chem., 2018

2016

The origins of the directionality of noncovalent intermolecular interactions.

Changwei Wang, Liangyu Guan, David Danovich, Sason Shaik, Yirong Mo

J. Comput. Chem., 2016

2013

An efficient algorithm for complete active space valence bond self-consistent field calculation.

Jinshuai Song, Zhenhua Chen, Sason Shaik, Wei Wu

J. Comput. Chem., 2013

2011

Automatic analysis of computed catalytic cycles.

Andreas Uhe, Sebastian Kozuch, Sason Shaik

J. Comput. Chem., 2011

2007

A valence bond study of the dioxygen molecule.

Peifeng Su, Lingchun Song, Wei Wu, Philippe C. Hiberty, Sason Shaik

J. Comput. Chem., 2007

The Lewis legacy: The chemical bond - A territory and heartland of chemistry.

Sason Shaik

J. Comput. Chem., 2007

A survey of recent developments in ab initio valence bond theory.

Philippe C. Hiberty, Sason Shaik

J. Comput. Chem., 2007

Foreword.

Gernot Frenking, Sason Shaik

J. Comput. Chem., 2007

2006

Systematic QM/MM investigation of factors that affect the cytochrome P450-catalyzed hydrogen abstraction of camphor.

Ahmet Altun, Sason Shaik, Walter Thiel

J. Comput. Chem., 2006

2004

A practical valence bond method: A configuration interaction method approach with perturbation theoretic facility.

Lingchun Song, Wei Wu, Qianer Zhang, Sason Shaik

J. Comput. Chem., 2004