E-LIB Suche - Ergebnisse für: Miglani Bhardwaj, Rajni

1

Efficient Crystal Structure Prediction for Structurally Rel..:

Mattei, Alessandra ; Hong, Richard S. ; Dietrich, Hanno...
Journal of Chemical Theory and Computation. 18 (2022) 9 - p. 5725-5738 , 2022

Link: https://doi.org/10.1021/..

2

Origins and Implications of Extraordinarily Soft Crystals i..:

Miglani Bhardwaj, Rajni ; Ho, Raimundo ; Gui, Yue...
Crystal Growth & Design. 22 (2022) 7 - p. 4250-4259 , 2022

Link: https://doi.org/10.1021/..

3

Distinct Hybrid Hydrates of Paritaprevir: Combined Experime..:

Hong, Richard S. ; Miglani Bhardwaj, Rajni ; Henry, Rodger...
Crystal Growth & Design. 22 (2021) 1 - p. 726-737 , 2021

Link: https://doi.org/10.1021/..

4

Implications of the Conformationally Flexible, Macrocyclic ..:

Sheikh, Ahmad Y. ; Mattei, Alessandra ; Miglani Bhardwaj, Rajni...
Journal of the American Chemical Society. 143 (2021) 42 - p. 17479-17491 , 2021

Link: https://doi.org/10.1021/..

5

Chemical structure of paritaprevir:

Bhardwaj, Rajni Miglani
Acta Crystallographica Section A Foundations and Advances. 79 (2023) a2 - p. C281-C281 , 2023

Link: https://doi.org/10.1107/..

6

Free Energy Perturbation Approach for Accurate Crystalline ..:

Hong, Richard S. ; Rojas, Ana V. ; Bhardwaj, Rajni Miglani...
Journal of Medicinal Chemistry. 66 (2023) 23 - p. 15883-15893 , 2023

Link: https://doi.org/10.1021/..

7

Novel Physics-Based Ensemble Modeling Approach That Utilize..:

Hong, Richard S. ; Mattei, Alessandra ; Sheikh, Ahmad Y....
Journal of Chemical Information and Modeling. 61 (2021) 3 - p. 1412-1426 , 2021

Link: https://doi.org/10.1021/..

8

A novel physics-based ensemble modelling approach that util..:

Bhardwaj, Rajni Miglani ; Hong, Richard S. ; Abraham, Nathan..
Acta Crystallographica Section A Foundations and Advances. 77 (2021) a2 - p. C208-C208 , 2021

Link: https://doi.org/10.1107/..

9

Experimental and computational approaches towards solid-for..:

Bhardwaj, Rajni Miglani ; Price, Louise S. ; Price, Sarah L....
Acta Crystallographica Section A Foundations of Crystallography. 69 (2013) a1 - p. s519-s519 , 2013

Link: https://doi.org/10.1107/..

10

Combined Chemoinformatics Approach to Solvent Library Desig..:

Johnston, Andrea ; Bhardwaj-Miglani, Rajni ; Gurung, Rajesh...
Journal of Chemical Information and Modeling. 57 (2017) 8 - p. 1807-1815 , 2017

Link: https://doi.org/10.1021/..

11

Free Energy Perturbation Approach for Accurate Crystalline ..:

Richard S. Hong ; Ana V. Rojas ; Rajni Miglani Bhardwaj...
doi:10.1021/acs.jmedchem.3c01339.s002. , 2023

Link: https://doi.org/10.1021/..

12

Free Energy Perturbation Approach for Accurate Crystalline ..:

Richard S. Hong ; Ana V. Rojas ; Rajni Miglani Bhardwaj...
doi:10.1021/acs.jmedchem.3c01339.s003. , 2023

Link: https://doi.org/10.1021/..

13

Free Energy Perturbation Approach for Accurate Crystalline ..:

Richard S. Hong ; Ana V. Rojas ; Rajni Miglani Bhardwaj...
doi:10.1021/acs.jmedchem.3c01339.s001. , 2023

Link: https://doi.org/10.1021/..

14

Direct observation of templated two-step nucleation mechani..:

Warzecha, Monika ; Guo, Rui ; Bhardwaj, Rajni Miglani...
https://kar.kent.ac.uk/64148/1/Submission%20Direct%20observation%20of%20templated%20two-step%20nucleation%20mechanism%20during%20olanzapine%20hydrate%20formation_resubmision.pdf. , 2017

Link: https://kar.kent.ac.uk/6..

15

Novel Physics-Based Ensemble Modeling Approach That Utilize..:

Richard S. Hong (9943335) ; Alessandra Mattei (1796989) ; Ahmad Y. Sheikh (2336962)...
https://figshare.com/articles/dataset/Novel_Physics-Based_Ensemble_Modeling_Approach_That_Utilizes_3D_Molecular_Conformation_and_Packing_to_Access_Aqueous_Thermodynamic_Solubility_A_Case_Study_of_Orally_Available_Bromodomain_and_Extraterminal_Domain_Inhibitor_Lead_Optimization_/14161347. , 2021

Link: https://doi.org/10.1021/..