Leveraging data fusion strategies in multireceptor lead optimization MM/GBSA end-point methods
JL Knight, G Krilov, KW Borrelli, J Williams… - Journal of chemical …, 2014 - ACS Publications
Accurate and efficient affinity calculations are critical to enhancing the contribution of in silico
modeling during the lead optimization phase of a drug discovery campaign. Here, we …
modeling during the lead optimization phase of a drug discovery campaign. Here, we …
Leveraging Data Fusion Strategies in Multireceptor Lead Optimization MM/GBSA End-Point Methods.
JL Knight, G Krilov, KW Borrelli, J Williams… - Journal of Chemical …, 2014 - europepmc.org
Accurate and efficient affinity calculations are critical to enhancing the contribution of in silico
modeling during the lead optimization phase of a drug discovery campaign. Here, we …
modeling during the lead optimization phase of a drug discovery campaign. Here, we …
Leveraging Data Fusion Strategies in Multireceptor Lead Optimization MM/GBSA End-Point Methods
JL Knight, G Krilov, KW Borrelli… - … of chemical theory …, 2014 - pubmed.ncbi.nlm.nih.gov
Accurate and efficient affinity calculations are critical to enhancing the contribution of in silico
modeling during the lead optimization phase of a drug discovery campaign. Here, we …
modeling during the lead optimization phase of a drug discovery campaign. Here, we …