Sason Shaik

Publication Activity (10 Years)

Years Active: 2004-2022
Publications (10 Years): 5

Top Topics

False Positives

Selection Algorithm

Salient Features

Top Venues

J. Comput. Chem.

J. Chem. Inf. Model.

Publications

Shalini Yadav, Sason Shaik, Shakir Ali Siddiqui, Surajit Kalita, Kshatresh Dutta Dubey
Local Electric Fields Dictate Function: The Different Product Selectivities Observed for Fatty Acid Oxidation by Two Deceptively Very Similar P450-Peroxygenases OleT and BSβ. J. Chem. Inf. Model. 62 (4) (2022)
Thijs Stuyver, Jing Huang, Dibyendu Mallick, David Danovich, Sason Shaik
TITAN: A Code for Modeling and Generating Electric Fields - Features and Applications to Enzymatic Reactivity. J. Comput. Chem. 41 (1) (2020)
Changwei Wang, David Danovich, Sason Shaik, Wei Wu, Yirong Mo
Attraction between electrophilic caps: A counterintuitive case of noncovalent interactions. J. Comput. Chem. 40 (9) (2019)
Changwei Wang, Yuzhuang Fu, Lina Zhang, David Danovich, Sason Shaik, Yirong Mo
Hydrogen- and Halogen-Bonds between Ions of like Charges: Are They Anti-Electrostatic in Nature? J. Comput. Chem. 39 (9) (2018)
Changwei Wang, Liangyu Guan, David Danovich, Sason Shaik, Yirong Mo
. J. Comput. Chem. 37 (1) (2016)
Jinshuai Song, Zhenhua Chen, Sason Shaik, Wei Wu
An efficient algorithm for complete active space valence bond self-consistent field calculation. J. Comput. Chem. 34 (1) (2013)
Andreas Uhe, Sebastian Kozuch, Sason Shaik
Automatic analysis of computed catalytic cycles. J. Comput. Chem. 32 (5) (2011)
Philippe C. Hiberty, Sason Shaik
A survey of recent developments in ab initio valence bond theory. J. Comput. Chem. 28 (1) (2007)
Sason Shaik
The Lewis legacy: The chemical bond - A territory and heartland of chemistry. J. Comput. Chem. 28 (1) (2007)
Gernot Frenking, Sason Shaik
Foreword. J. Comput. Chem. 28 (1) (2007)
Peifeng Su, Lingchun Song, Wei Wu, Philippe C. Hiberty, Sason Shaik
A valence bond study of the dioxygen molecule. J. Comput. Chem. 28 (1) (2007)
Ahmet Altun, Sason Shaik, Walter Thiel
Systematic QM/MM investigation of factors that affect the cytochrome P450-catalyzed hydrogen abstraction of camphor. J. Comput. Chem. 27 (12) (2006)
Lingchun Song, Wei Wu, Qianer Zhang, Sason Shaik
A practical valence bond method: A configuration interaction method approach with perturbation theoretic facility. J. Comput. Chem. 25 (4) (2004)