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Journal of Computational Chemistry|January 18, 2017
Description of non-covalent interactions in SCC-DFTB methodsVijay Madhav Miriyala, Jan Řezáč
Physical Chemistry Chemical Physics : PCCP|September 20, 2023
Trends in the stability of covalent dative bonds with variable solvent polarity depend on the charge transfer in the Lewis electron-pair systemRabindranath Lo, Debashree Manna, Vijay Madhav Miriyala, et al.
The Journal of Physical Chemistry. A|October 20, 2022
Unexpected Strengthening of the H-Bond Complexes in a Polar Solvent Due to a More Efficient Solvation of the Complex Compared to Isolated MonomersVijay Madhav Miriyala, Rabindranath Lo, Petr Bouř, et al.
Journal of Computational Chemistry|September 27, 2023
Impact of dielectric constant of solvent on the formation of transition metal-ammine complexesDebashree Manna, Rabindranath Lo, Vijay Madhav Miriyala, et al.
Organic Letters|April 8, 2014
Precise tuning of cationic cyclophanes toward highly selective fluorogenic recognition of specific biophosphate anionsMuhammad Yousuf, Nisar Ahmed, Bahareh Shirinfar, et al.
Chempluschem|September 28, 2020
SQM/COSMO Scoring Function: Reliable Quantum-Mechanical Tool for Sampling and Ranking in Structure-Based Drug DesignAdam Pecina, Saltuk M Eyrilmez, Cemal Köprülüoğlu, et al.
Chempluschem|July 2, 2020
SQM/COSMO Scoring Function: Reliable Quantum-Mechanical Tool for Sampling and Ranking in Structure-Based Drug DesignAdam Pecina, Saltuk M Eyrilmez, Cemal Köprülüoğlu, et al.
Journal of Peptide Science : an Official Publication of the European Peptide Society|November 6, 2022
Targeting the insulin receptor with hormone and peptide dimersJingjing Lin, Irena Selicharová, Katarína Mitrová, et al.
Angewandte Chemie (International Ed. in English)|March 18, 2024
The Stability of Hydrogen-Bonded Ion-Pair Complex Unexpectedly Increases with Increasing Solvent PolarityDebashree Manna, Rabindranath Lo, Jaroslav Vacek, et al.
Physical Chemistry Chemical Physics : PCCP|April 23, 2025
i-Motif DNA in isolated hemiprotonated cytosine dimers, studied using IR spectroscopy and theoretical calculationsAna D Parejo Vidal, Yuika Okura, Keisuke Hirata, et al.
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