| Mutations on RBD of SARS-CoV-2 Omicron variant result in stronger binding to human ACE2 receptor CS Lupala, Y Ye, H Chen, XD Su, H Liu Biochemical and biophysical research communications 590, 34-41, 2022 | 240 | 2022 |
| Computational simulations reveal the binding dynamics between human ACE2 and the receptor binding domain of SARS-CoV-2 spike protein CS Lupala, H Liu, X Li, J Lei, H Chen, J Qi, X Su bioRxiv, 2020 | 38 | 2020 |
| Flavonoid allosteric modulation of mutated visual rhodopsin associated with retinitis pigmentosa MG Herrera-Hernández, E Ramon, CS Lupala, M Tena-Campos, JJ Pérez, ... Scientific reports 7 (1), 11167, 2017 | 34 | 2017 |
| Zinc is involved in depression by modulating G protein-coupled receptor heterodimerization M Tena-Campos, E Ramon, CS Lupala, JJ Pérez, KW Koch, P Garriga Molecular neurobiology 53, 2003-2015, 2016 | 29 | 2016 |
| Identification of drug binding sites and action mechanisms with molecular dynamics simulations Y Wang, CS Lupala, H Liu, X Lin Current Topics in Medicinal Chemistry 18 (27), 2268-2277, 2018 | 28 | 2018 |
| Improving thermostability of (R)-selective amine transaminase from Aspergillus terreus by evolutionary coupling saturation mutagenesis CY Liu, CS Lupala, CJ Lyu, WL Zhu, HP Wang, CJ Jiang, LH Mei, HG Liu, ... Biochemical Engineering Journal, 107926, 2021 | 19 | 2021 |
| Using molecular dynamics for the refinement of atomistic models of GPCRs by homology modeling CS Lupala, B Rasaeifar, P Gomez-Gutierrez, JJ Perez Journal of Biomolecular Structure and Dynamics 36 (9), 2436-2448, 2018 | 19 | 2018 |
| Designing type II topoisomerase inhibitors: a molecular modeling approach J J. Perez, C S. Lupala, P Gomez-Gutierrez Current Topics in Medicinal Chemistry 14 (1), 40-50, 2014 | 19 | 2014 |
| Computational insights into differential interaction of mammalian angiotensin-converting enzyme 2 with the SARS-CoV-2 spike receptor binding domain CS Lupala, V Kumar, X Su, C Wu, H Liu Computers in Biology and Medicine 141, 105017, 2022 | 16 | 2022 |
| New insights into the stereochemical requirements of the bradykinin B2 receptor antagonists binding CS Lupala, P Gomez-Gutierrez, JJ Perez Journal of computer-aided molecular design 30, 85-101, 2016 | 16 | 2016 |
| New insights into the stereochemical requirements of the bradykinin B1 receptor antagonists binding CS Lupala, P Gomez-Gutierrez, JJ Perez Journal of Molecular Graphics and Modelling 68, 184-196, 2016 | 15 | 2016 |
| Structure-based functional modification study of a cyanobacterial chloride pump for transporting multiple anions JH Yun, JH Park, Z Jin, M Ohki, Y Wang, CS Lupala, H Liu, SY Park, ... Journal of molecular biology 432 (19), 5273-5286, 2020 | 14 | 2020 |
| Molecular determinants of the bacterial resistance to fluoroquinolones: A computational study CS Lupala, P Gomez-Gutierrez, JJ Perez Current Computer-Aided Drug Design 9 (2), 281-288, 2013 | 13 | 2013 |
| A community-randomized evaluation of the effect of intermittent preventive treatment in infants on antimalarial drug resistance in southern Tanzania RJ Pearce, R Ord, H Kaur, C Lupala, J Schellenberg, K Shirima, F Manzi, ... The Journal of infectious diseases 207 (5), 848-859, 2013 | 10 | 2013 |
| Direct experimental observation of blue-light-induced conformational change and intermolecular interactions of cryptochrome P Li, H Cheng, V Kumar, CS Lupala, X Li, Y Shi, C Ma, K Joo, J Lee, H Liu, ... Communications biology 5 (1), 1103, 2022 | 9 | 2022 |
| Molecular features characterizing non-peptide selectivity to the human B1 and B2 bradykinin receptors B Rasaeifar, CS Lupala, P Gomez-Gutierrez, JJ Perez Bioorganic & medicinal chemistry letters 29 (1), 11-14, 2019 | 9 | 2019 |
| Computational analysis on the ACE2-derived peptides for neutralizing the ACE2 binding to the spike protein of SARS-CoV-2 CS Lupala, V Kumar, X Li, X Su, H Liu bioRxiv, 2020 | 8 | 2020 |
| 193 Effect of template selection on the construction of atomistic models of GPCRs by homology modeling CS Lupala, B Rasaeifar, P Gomez-Gutierrez, JJ Perez Journal of Biomolecular Structure and Dynamics 33 (sup1), 127-128, 2015 | 5 | 2015 |
| Computer aided protein engineering to enhance the thermo-stability of CXCR1-T4 lysozyme complex Y Wang, JH Park, CS Lupala, JH Yun, Z Jin, L Huang, X Li, L Tang, W Lee, ... Scientific reports 9 (1), 5317, 2019 | 3 | 2019 |
| Mutations in RBD of SARS-CoV-2 Omicron variant result stronger binding to human ACE2 protein CS Lupala, Y Ye, H Chen, X Su, H Liu bioRxiv, 2021 | 2 | 2021 |
Haiguang LiuMicrosoft Research AI4ScienceVerified email at microsoft.com