Area of research
Materials Chemistry · Physical and Theoretical Chemistry
Research interest
Research interests include X-ray Diffraction in Crystallography, Crystallization and Solubility Studies, Crystallography and molecular interactions, and Synthesis and characterization of novel inorganic/organometallic compounds.
The seventh blind test of crystal structure prediction: structure generation methods
The seventh blind test of crystal structure prediction: structure generation methods
The seventh blind test of crystal structure prediction: structure ranking methods
The seventh blind test of crystal structure prediction: structure ranking methods
Molecular Crystal Calculation Prospects for Structural Phase Transitions
Conformational Search with Implicit Solvation Model for Prediction of Ligand-Bound Conformations
Preparation of photonic molecular trains via soft-crystal polymerization of lanthanide complexes.
Thermosalience in Macrocycle-Based Soft Crystals via Anisotropic Deformation of Disilanyl Architecture.
Validation Study of QSAR/DNN Models Using the Competition Datasets.
Charge mobility calculation of organic semiconductors without use of experimental single-crystal data.
Ixekizumab for patients with non-radiographic axial spondyloarthritis (COAST-X): a randomised, placebo-controlled trial
Computational chemical analysis of Ru(II)-Pheox-catalyzed highly enantioselective intramolecular cyclopropanation reactions.
Ixekizumab, an interleukin-17A antagonist in the treatment of ankylosing spondylitis or radiographic axial spondyloarthritis in patients previously untreated with biological disease-modifying anti-rheumatic drugs (COAST-V): 16 week results of a phase 3 randomised, double-blind, active-controlled and placebo-controlled trial
Report on the sixth blind test of organic crystal structure prediction methods