| The MM/PBSA and MM/GBSA methods to estimate ligand-binding affinities | 2015/04/02 | English | 2,669 |
| Lipophilicity in drug discovery | 2010/02/26 | English | 576 |
| The influence of lipophilicity in drug discovery and design | 2012/09/19 | English | 478 |
| Virtual screening with AutoDock: theory and practice | 2010/04/23 | English | 394 |
| Advances in structure-based drug discovery of carbonic anhydrase inhibitors | 2016/11/09 | English | 365 |
| Molecular dynamics simulations and novel drug discovery | 2017/11/15 | English | 270 |
| Fluorescence polarization assays in small molecule screening | 2010/11/19 | English | 242 |
| Halogen bonding for rational drug design and new drug discovery | 2012/03/30 | English | 236 |
| The importance of plasma protein binding in drug discovery | 2007/01/01 | English | 224 |
| On some aspects of validation of predictive quantitative structure–activity relationship models | 2007/11/26 | English | 223 |
| Exploiting the hydrophobic and hydrophilic binding sites for designing carbonic anhydrase inhibitors | 2013/04/30 | English | 222 |
| An overview of molecular hybrids in drug discovery | 2016/01/12 | English | 218 |
| Ligand efficiency indices for effective drug discovery | 2007/04/01 | English | 207 |
| The impact of click chemistry in medicinal chemistry | 2012/05/19 | English | 201 |
| The transcriptional factors HIF-1 and HIF-2 and their novel inhibitors in cancer therapy | 2019/05/09 | English | 184 |
| The utilization of spirocyclic scaffolds in novel drug discovery | 2016/06/09 | English | 181 |
| The multicellular tumor spheroid model for high-throughput cancer drug discovery | 2012/07/12 | English | 176 |
| Advances in the development of hybrid anticancer drugs | 2013/05/07 | English | 165 |
| An overview of quinoline as a privileged scaffold in cancer drug discovery | 2017/04/20 | English | 161 |
| An overview of spirooxindole as a promising scaffold for novel drug discovery | 2020/02/28 | English | 160 |
| Promise and challenges in drug discovery and development of hybrid anticancer drugs | 2009/10/30 | English | 157 |
| The structural modification of natural products for novel drug discovery | 2016/12/22 | English | 153 |
| The dynamics of drug-target interactions: drug-target residence time and its impact on efficacy and safety | 2010/03/29 | English | 147 |
| The design of semi-synthetic and synthetic glycoconjugate vaccines | 2011/09/06 | English | 147 |
| Advances in the structural annotation of human carbonic anhydrases and impact on future drug discovery | 2019/08/22 | English | 146 |
| The challenge of selecting protein kinase assays for lead discovery optimization | 2008/05/22 | English | 146 |
| Use of machine learning approaches for novel drug discovery | 2016/02/16 | English | 145 |
| In situclick chemistry: a powerful means for lead discovery | 2006/11/01 | English | 145 |
| Gateway®recombinational cloning: a biological operating system | 2007/04/01 | English | 144 |
| Recent applications of click chemistry in drug discovery | 2019/05/16 | English | 144 |