Research outputs

1. Allosteric effects in cyclophilin mutants may be explained by changes in nano-microsecond time scale motions

   Research output: Contribution to journal › Article

2. Effect of set up protocols on the accuracy of alchemical free energy calculation over a set of ACK1 inhibitors

   Research output: Contribution to journal › Article

3. Impact of domain knowledge on blinded predictions of binding energies by alchemical free energy calculations

   Research output: Contribution to journal › Article

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