Structure, Dynamics and Solvation of HIV-1 Protease/Saquinavir Complex in Aqueous Solution and Their Contributions to Drug Resistance: Molecular Dynamic Simulations. - Kitiyaporn Wittayanarakul; Ornjira Aruksakunwong; Pornthep Sompornpisut; Vannajan Sanghiran Lee; Vudhichai Parasuk; Surapong Pinitglang; Supot Hannongbua (J. Chem. Inf. Model., 2005)

Structural Screening of HIV-1 Protease/Inhibitor Docking by Non-parametric Binomial Distribution Test. - Piyarat Nimmanpipug; Vannajan Sanghiran Lee; Jeerayut Chaijaruwanich; Sukon Prasitwattanaseree; Patrinee Traisathit (BIRD, 2007)

Influence of metal cofactors and water on the catalytic mechanism of creatininase-creatinine in aqueous solution from molecular dynamics simulation and quantum study. - Vannajan Sanghiran Lee; Kanchanok Kodchakorn; Jitrayut Jitonnom; Piyarat Nimmanpipug; Prachya Kongtawelert; Bhusana Premanode (J. Comput. Aided Mol. Des., 2010)

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)

G3 Assisted Rational Design of Chemical Sensor Array Using Carbonitrile Neutral Receptors. - Ahmad Nazmi Rosli; Maizathul Akmam Abu Bakar; Ninie Suhana Abdul Manan; Pei Meng Woi; Vannajan Sanghiran Lee; Sharifuddin Md Zain; Mohd Rais Ahmad; Yatima Alias (Sensors, 2013)

Crystal structure of an antiviral ankyrin targeting the HIV-1 capsid and molecular modeling of the ankyrin-capsid complex. - Warachai Praditwongwan; Phimonphan Chuankhayan; Somphot Saoin; Tanchanok Wisitponchai; Vannajan Sanghiran Lee; Sawitree Nangola; Saw See Hong; Philippe Minard; Pierre Boulanger; Chun-Jung Chen; Chatchai Tayapiwatana (J. Comput. Aided Mol. Des., 2014)

AnkPlex: algorithmic structure for refinement of near-native ankyrin-protein docking. - Tanchanok Wisitponchai; Watshara Shoombuatong; Vannajan Sanghiran Lee; Kuntida Kitidee; Chatchai Tayapiwatana (BMC Bioinform., 2017)

Role of surface-exposed charged basic amino acids (Lys, Arg) and guanidination in insulin on the interaction and stability of insulin-insulin receptor complex. - Vannajan Sanghiran Lee; Sri Devi Sukumaran; Pak Kheong Tan; Umah Rani Kuppusamy; Bavani Arumugam (Comput. Biol. Chem., 2021)

Designing of 2,3-dihydrobenzofuran derivatives as inhibitors of PDE1B using pharmacophore screening, ensemble docking and molecular dynamics approach. - Mayasah Al-Nema; Anand Gaurav; Vannajan Sanghiran Lee (Comput. Biol. Medicine, 2023)