Chemical Reactivity as a Tool To Study Carcinogenicity: Reaction between Estradiol and Estrone 3, 4-Quinones Ultimate Carcinogens and Guanine. - Philippe Huetz; Ezatul Ezleen Kamarulzaman; Habibah A. Wahab; Janez Mavri (J. Chem. Inf. Model., 2004)

Molecular Docking: An Example of Grid Enabled Applications. - Erwin Tantoso; Habibah A. Wahab; Huah Yong Chan (New Gener. Comput., 2004)

Design of novel semisynethetic metalloenzyme from thermolysin. - Mohd Basyaruddin Abdul Rahman; Ahmad Jaafar; Mahiran Basri; Raja Rahman; Abu Salleh; Habibah A. Wahab (BMC Syst. Biol., 2007)

Analysis of Secondary Structure Predictions of Dengue Virus Type 2 NS2B/NS3 Against Crystal Structure to Evaluate the Predictive Power of theIn Silico Methods. - Rozana Othman; Habibah A. Wahab; Rohana Yusof; Noorsaadah Abdul Rahman (Silico Biol., 2007)

Elucidating Isoniazid Resistance Using Molecular Modeling. - Habibah A. Wahab; Yee-Siew Choong; Pazilah Ibrahim; Amirin Sadikun; Thomas Scior (J. Chem. Inf. Model., 2009)

Molecular Insights into 14-Membered Macrolides Using the MM-PBSA Method. - Wai Keat Yam; Habibah A. Wahab (J. Chem. Inf. Model., 2009)

Revealing the functionality of hypothetical protein KPN00728 from Klebsiella pneumoniae MGH78578: molecular dynamics simulation approaches. - Sy Bing Choi; Yahaya M. Normi; Habibah A. Wahab (BMC Bioinform., 2011)

Fragment-Based Molecular Design of New Competitive Dengue Den2 Ns2b/Ns3 Inhibitors from the Components of Fingerroot (Boesenbergia rotunda). - Neni Frimayanti; Sharifuddin Mohd. Zain; Vannajan Sanghiran Lee; Habibah A. Wahab; Rohana Yusof; Noorsaadah Abdul Rahman (Silico Biol., 2012)

Structurally Conserved Binding Sites of Hemagglutinin as Targets for Influenza Drug and Vaccine Development. - Muhammad Yusuf; Janez Konc; Sy Bing Choi; Joanna Trykowska Konc; Nurul Bahiyah Ahmad Khairudin; Dusanka Janezic; Habibah A. Wahab (J. Chem. Inf. Model., 2013)

A Virtual Screening Approach For Identifying Plants with Anti H5N1 Neuraminidase Activity. - Nur Kusaira Khairul Ikram; Jacob D. Durrant; Muchtaridi Muchtaridi; Ayunni Salihah Zalaludin; Neny Purwitasari; Nornisah Mohamed; Aisyah Saad Abdul Rahim; Chan Kit Lam; Yahaya M. Normi; Noorsaadah Abdul Rahman; Rommie E. Amaro; Habibah A. Wahab (J. Chem. Inf. Model., 2015)

Letter from the Editors. - Kenneth M. Merz Jr.; Matthias Rarey; Alexander Tropsha; Habibah A. Wahab (J. Chem. Inf. Model., 2015)

H274Y's Effect on Oseltamivir Resistance: What Happens Before the Drug Enters the Binding Site. - Muhammad Yusuf; Nornisah Mohamed; Suriyati Mohamad; Dusanka Janezic; K. V. Damodaran; Habibah A. Wahab (J. Chem. Inf. Model., 2016)

Active Site Flexibility of Mycobacterium tuberculosis Isocitrate Lyase in Dimer Form. - Yie-Vern Lee; Sy Bing Choi; Habibah A. Wahab; Yee-Siew Choong (J. Chem. Inf. Model., 2017)

Women in Computational Chemistry. - Habibah A. Wahab; Rommie E. Amaro; Zoe Cournia (J. Chem. Inf. Model., 2018)

Applications of Ensemble Docking in Potential Inhibitor Screening forMycobacterium tuberculosisIsocitrate Lyase Using a Local Plant Database. - Yie-Vern Lee; Sy Bing Choi; Habibah A. Wahab; Theam Soon Lim; Yee-Siew Choong (J. Chem. Inf. Model., 2019)

Molecular Simulation in Latin America: Coming of Age. - Thereza A. Soares; Habibah A. Wahab (J. Chem. Inf. Model., 2019)

A Celebration of Women in Computational Chemistry. - Habibah A. Wahab; Rommie E. Amaro; Zoe Cournia (J. Chem. Inf. Model., 2019)

Molecular Dynamics Simulations in Drug Discovery. - Sy Bing Choi; Beow Keat Yap; Yee-Siew Choong; Habibah A. Wahab (Encyclopedia of Bioinformatics and Computational Biology (3), 2019)

In Silico Identification of Novel Inhibitors. - Beow Keat Yap; Chong-Yew Lee; Sy Bing Choi; Ezatul E. Kamarulzaman; Maywan Hariono; Habibah A. Wahab (Encyclopedia of Bioinformatics and Computational Biology (3), 2019)

Arylamide as Potential Selective Inhibitor for Matrix Metalloproteinase 9 (MMP9): Design, Synthesis, Biological Evaluation, and Molecular Modeling. - Maywan Hariono; Rina F. Nuwarda; Muhammad Yusuf; Rollando Rollando; Riris Istighfari Jenie; Belal Al-Najjar; Jeffry Julianus; Kevin C. Putra; Ervan S. Nugroho; Yohanes K. Wisnumurti; Sangga P. Dewa; Benedictus W. Jati; et al. (J. Chem. Inf. Model., 2020)

Impact of the Journal of Chemical Information and Modeling Special Issue on Women in Computational Chemistry. - Angelica Mazzolari; Ariane Nunes-Alves; Habibah A. Wahab; Rommie E. Amaro; Zoe Cournia; Kenneth M. Merz Jr. (J. Chem. Inf. Model., 2020)

Editorial: Method and Data Sharing and Reproducibility of Scientific Results. - Kenneth M. Merz Jr.; Rommie E. Amaro; Zoe Cournia; Matthias Rarey; Thereza A. Soares; Alexander Tropsha; Habibah A. Wahab; Renxiao Wang (J. Chem. Inf. Model., 2020)

Outlook on the Development and Application of Molecular Simulations in Latin America. - Thereza A. Soares; Habibah A. Wahab (J. Chem. Inf. Model., 2020)

Advancing Women in Chemistry. - Zoe Cournia; Thereza A. Soares; Habibah A. Wahab; Rommie E. Amaro (J. Chem. Inf. Model., 2021)

Computational Chemistry in Asia. - Guo-Wei Wei 001; Thereza A. Soares; Habibah A. Wahab; Renxiao Wang (J. Chem. Inf. Model., 2021)

YRAN2SAT: A novel flexible random satisfiability logical rule in discrete hopfield neural network. - Yueling Guo; Mohd Shareduwan Mohd Kasihmuddin; Yuan Gao 029; Mohd. Asyraf Mansor; Habibah A. Wahab; Nur Ezlin Zamri; Ju Chen (Adv. Eng. Softw., 2022)

Celebrating Diversity, Equity, Inclusion, and Respect in Computational and Theoretical Chemistry. - Zoe Cournia; Thereza A. Soares; Habibah A. Wahab; Rommie E. Amaro (J. Chem. Inf. Model., 2022)

Computational Chemistry in Asia. - Guo-Wei Wei 001; Thereza A. Soares; Habibah A. Wahab; Feng Zhu 004 (J. Chem. Inf. Model., 2022)

Guidelines for Reporting Molecular Dynamics Simulations in JCIM Publications. - Thereza A. Soares; Zoe Cournia; Kevin J. Naidoo; Rommie E. Amaro; Habibah A. Wahab; Kenneth M. Merz Jr. (J. Chem. Inf. Model., 2023)

Synthesis, biological evaluation, and molecular modelling of novel quinoxaline-isoxazole hybrid as anti-hyperglycemic. - Lacksany Phongphane; Siti Nurshahira Mohd Radzuan; Mohamad Hafizi Abu Bakar; Mohammad Tasyriq Che Omar; Unang Supratman; Desi Harneti; Habibah A. Wahab; Mohamad Nurul Azmi (Comput. Biol. Chem., 2023)