Amino acid interacting network in the receptor-binding domain of SARS-CoV-2 spike protein

por Adhikari, Puja, Ching, Wai-Yim
Publicado 2020

Electronic structure methods for complex materials: the orthogonalized linear combination of atomic orbitals

por Ching, Wai-Yim, Rulis, Paul Michael
Publicado 2012

8th Joint Conference On Magnetism And Magnetic Materials and International Magnetics Conference

por Ching Wai Yim, Fidler, Josef, Folks, Liesl
Publicado 2001

Quantum Mechanical Metric for Internal Cohesion in Cement Crystals

por Dharmawardhana, C. C., Misra, A., Ching, Wai-Yim
Publicado 2014

Ab initio study of mechanical and thermal properties of GeTe-based and PbSe-based high-entropy chalcogenides

por Hasan, Sahib, Adhikari, Puja, San, Saro, Ching, Wai-Yim
Publicado 2023

Ultra-large-scale ab initio quantum chemical computation of bio-molecular systems: The case of spike protein of SARS-CoV-2 virus

por Ching, Wai-Yim, Adhikari, Puja, Jawad, Bahaa, Podgornik, Rudolf
Publicado 2021

Structural and physical properties of 99 complex bulk chalcogenides crystals using first-principles calculations

por Hasan, Sahib, Baral, Khagendra, Li, Neng, Ching, Wai-Yim
Publicado 2021

First-Principles Simulation of Dielectric Function in Biomolecules

por Adhikari, Puja, Podgornik, Rudolf, Jawad, Bahaa, Ching, Wai-Yim
Publicado 2021

Mutations of Omicron Variant at the Interface of the Receptor Domain Motif and Human Angiotensin-Converting Enzyme-2

por Adhikari, Puja, Jawad, Bahaa, Podgornik, Rudolf, Ching, Wai-Yim
Publicado 2022

Binding Interactions between Receptor-Binding Domain of Spike Protein and Human Angiotensin Converting Enzyme-2 in Omicron Variant

por Jawad, Bahaa, Adhikari, Puja, Podgornik, Rudolf, Ching, Wai-Yim
Publicado 2022

Effect of Delta and Omicron Mutations on the RBD-SD1 Domain of the Spike Protein in SARS-CoV-2 and the Omicron Mutations on RBD-ACE2 Interface Complex

por Ching, Wai-Yim, Adhikari, Puja, Jawad, Bahaa, Podgornik, Rudolf
Publicado 2022

Quantum Chemical Computation of Omicron Mutations Near Cleavage Sites of the Spike Protein

por Adhikari, Puja, Jawad, Bahaa, Podgornik, Rudolf, Ching, Wai-Yim
Publicado 2022

Ab Initio Simulation of Structure and Properties in Ni-Based Superalloys: Haynes282 and Inconel740

por Ching, Wai-Yim, San, Saro, Zhou, Caizhi, Sakidja, Ridwan
Publicado 2023

Towards Quantum-Chemical Level Calculations of SARS-CoV-2 Spike Protein Variants of Concern by First Principles Density Functional Theory

por Ching, Wai-Yim, Adhikari, Puja, Jawad, Bahaa, Podgornik, Rudolf
Publicado 2023

6th Joint Magnetism and Magnetic Materials Conference : InterMag

por Yelon, W, Ching Wai Yim, Idzerda, Yu, Pinkerton, F E
Publicado 1994

Complex interplay of interatomic bonding in a multi-component pyrophosphate crystal: K(2)Mg (H(2)P(2)O(7))(2)·2H(2)O

por Adhikari, Puja, Khaoulaf, Redouane, Ez-Zahraouy, Hamid, Ching, Wai-Yim
Publicado 2017

Solvent Effect on the Structure and Properties of RGD Peptide (1FUV) at Body Temperature (310 K) Using Ab Initio Molecular Dynamics

por Baral, Khagendra, Adhikari, Puja, Jawad, Bahaa, Podgornik, Rudolf, Ching, Wai-Yim
Publicado 2021

Computational Design of Miniproteins as SARS-CoV-2 Therapeutic Inhibitors

por Jawad, Bahaa, Adhikari, Puja, Cheng, Kun, Podgornik, Rudolf, Ching, Wai-Yim
Publicado 2022

Delta Variant with P681R Critical Mutation Revealed by Ultra-Large Atomic-Scale Ab Initio Simulation: Implications for the Fundamentals of Biomolecular Interactions

por Adhikari, Puja, Jawad, Bahaa, Rao, Praveen, Podgornik, Rudolf, Ching, Wai-Yim
Publicado 2022

Unraveling the effects of linker substitution on structural, electronic and optical properties of amorphous zeolitic imidazolate frameworks-62 (a-ZIF-62) glasses: a DFT study

por Xiong, Mo, Zhao, Xiujian, Yin, Guanchao, Ching, Wai-Yim, Li, Neng
Publicado 2020