Wai-Yim Ching

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 29

Top Venues

The journal of physical chemistry. B

Materials (Basel, Switzerland)

RSC advances

Biomedicines

University of Missouri Kansas City

Louisiana State University (PHD)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

University of Missouri Kansas City Sep 01 1978

United States

Curators' Professor :: Physics and Astronomy

University of Wisconsin Madison

United States

Research Associate :: Physics

Education History

Louisiana State University

United States

PHD

Publications

Khagendra Baral, Neng Li, Wai-Yim Ching
Effects of Na/K-Cl Salts on Hydrolysis of Aluminosilicate Glass Using Ab Initio Molecular Dynamics. The journal of physical chemistry. B 128 (10) (2024)
Khagendra Baral, Neng Li, Wai-Yim Ching
Effects of Na/K-Cl Salts on Hydrolysis of Aluminosilicate Glass Using Ab Initio Molecular Dynamics. The journal of physical chemistry. B (2024)
Wai-Yim Ching, Puja Adhikari, Bahaa Jawad, Rudolf Podgornik
Towards Quantum-Chemical Level Calculations of SARS-CoV-2 Spike Protein Variants of Concern by First Principles Density Functional Theory. Biomedicines 11 (2) (2023)
Saro San, Puja Adhikari, Ridwan Sakidja, Jamieson Brechtl, Peter K Liaw, Wai-Yim Ching
Porosity modeling in a TiNbTaZrMo high-entropy alloy for biomedical applications. RSC advances 13 (51) (2023)
Wai-Yim Ching, Puja Adhikari, Bahaa Jawad, Rudolf Podgornik
Towards Quantum-Chemical Level Calculations of SARS-CoV-2 Spike Protein Variants of Concern by First Principles Density Functional Theory. Biomedicines 11 (2) (2023)
Wai-Yim Ching, Saro San, Caizhi Zhou, Ridwan Sakidja
Ab Initio Simulation of Structure and Properties in Ni-Based Superalloys: Haynes282 and Inconel740. Materials (Basel, Switzerland) 16 (2) (2023)
Wai-Yim Ching, Puja Adhikari, Bahaa Jawad, Rudolf Podgornik
Towards Quantum-Chemical Level Calculations of SARS-CoV-2 Spike Protein Variants of Concern by First Principles Density Functional Theory. Biomedicines 11 (2) (2023)
Wai-Yim Ching, Saro San, Caizhi Zhou, Ridwan Sakidja
Ab Initio Simulation of Structure and Properties in Ni-Based Superalloys: Haynes282 and Inconel740. Materials (Basel, Switzerland) 16 (2) (2023)
Saro San, Puja Adhikari, Ridwan Sakidja, Jamieson Brechtl, Peter K Liaw, Wai-Yim Ching
Porosity modeling in a TiNbTaZrMo high-entropy alloy for biomedical applications. RSC advances 13 (51) (2023)
Bahaa Jawad, Puja Adhikari, Kun Cheng, Rudolf Podgornik, Wai-Yim Ching
Computational Design of Miniproteins as SARS-CoV-2 Therapeutic Inhibitors. International journal of molecular sciences 23 (2) (2022)
Puja Adhikari, Bahaa Jawad, Rudolf Podgornik, Wai-Yim Ching
Quantum Chemical Computation of Omicron Mutations Near Cleavage Sites of the Spike Protein. Microorganisms 10 (10) (2022)
Sahib Hasan, Saro San, Khagendra Baral, Neng Li, Paul Rulis, Wai-Yim Ching
First-Principles Calculations of Thermoelectric Transport Properties of Quaternary and Ternary Bulk Chalcogenide Crystals. Materials (Basel, Switzerland) 15 (8) (2022)
Puja Adhikari, Bahaa Jawad, Rudolf Podgornik, Wai-Yim Ching
Mutations of Omicron Variant at the Interface of the Receptor Domain Motif and Human Angiotensin-Converting Enzyme-2. International journal of molecular sciences 23 (5) (2022)
Bahaa Jawad, Puja Adhikari, Rudolf Podgornik, Wai-Yim Ching
Binding Interactions between Receptor-Binding Domain of Spike Protein and Human Angiotensin Converting Enzyme-2 in Omicron Variant. The journal of physical chemistry letters 13 (17) (2022)
Wai-Yim Ching, Puja Adhikari, Bahaa Jawad, Rudolf Podgornik
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. International journal of molecular sciences 23 (17) (2022)
Puja Adhikari, Bahaa Jawad, Praveen Rao, Rudolf Podgornik, Wai-Yim Ching
Delta Variant with P681R Critical Mutation Revealed by Ultra-Large Atomic-Scale Ab Initio Simulation: Implications for the Fundamentals of Biomolecular Interactions. Viruses 14 (3) (2022)
Bahaa Jawad, Puja Adhikari, Rudolf Podgornik, Wai-Yim Ching
Key Interacting Residues between RBD of SARS-CoV-2 and ACE2 Receptor: Combination of Molecular Dynamics Simulation and Density Functional Calculation. Journal of chemical information and modeling 61 (9) (2021)
Khagendra Baral, Saro San, Ridwan Sakidja, Adrien Couet, Kumar Sridharan, Wai-Yim Ching
Temperature-Dependent Properties of Molten Li2BeF4 Salt Using Ab Initio Molecular Dynamics. ACS omega 6 (30) (2021)
Khagendra Baral, Puja Adhikari, Bahaa Jawad, Rudolf Podgornik, Wai-Yim Ching
Solvent Effect on the Structure and Properties of RGD Peptide (1FUV) at Body Temperature (310 K) Using Ab Initio Molecular Dynamics. Polymers 13 (19) (2021)
Puja Adhikari, Rudolf Podgornik, Bahaa Jawad, Wai-Yim Ching
First-Principles Simulation of Dielectric Function in Biomolecules. Materials (Basel, Switzerland) 14 (19) (2021)
Bahaa Jawad, Lokendra Poudel, Rudolf Podgornik, Wai-Yim Ching
Thermodynamic Dissection of the Intercalation Binding Process of Doxorubicin to dsDNA with Implications of Ionic and Solvent Effects. The journal of physical chemistry. B 124 (36) (2020)
Khagendra Baral, Aize Li, Wai-Yim Ching
Ab Initio Study of Hydrolysis Effects in Single and Ion-Exchanged Alkali Aluminosilicate Glasses. The journal of physical chemistry. B 124 (38) (2020)
Puja Adhikari, Wai-Yim Ching
Amino acid interacting network in the receptor-binding domain of SARS-CoV-2 spike protein. RSC advances 10 (65) (2020)
Mo Xiong, Xiujian Zhao, Guanchao Yin, Wai-Yim Ching, Neng Li
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. RSC advances 10 (24) (2020)
Wai-Yim Ching, Lokendra Poudel, Saro San, Khagendra Baral
Interfacial Interaction between Suolunite Crystal and Silica Binding Peptide for Novel Bioinspired Cement. ACS combinatorial science 21 (12) (2019)
Puja Adhikari, Redouane Khaoulaf, Hamid Ez-Zahraouy, Wai-Yim Ching
Complex interplay of interatomic bonding in a multi-component pyrophosphate crystal: K2Mg (H2P2O7)2·2H2O. Royal Society open science 4 (12) (2017)
Lokendra Poudel, Reidun Twarock, Nicole F Steinmetz, Rudolf Podgornik, Wai-Yim Ching
Impact of Hydrogen Bonding in the Binding Site between Capsid Protein and MS2 Bacteriophage ssRNA. The journal of physical chemistry. B 121 (26) (2017)
Khagendra Baral, Aize Li, Wai-Yim Ching
Ab Initio Modeling of Structure and Properties of Single and Mixed Alkali Silicate Glasses. The journal of physical chemistry. A 121 (40) (2017)
Lokendra Poudel, Rudolf Podgornik, Wai-Yim Ching
The Hydration Effect and Selectivity of Alkali Metal Ions on Poly(ethylene glycol) Models in Cyclic and Linear Topology. The journal of physical chemistry. A 121 (24) (2017)

Wai-Yim Ching.css-eqlu8i{font-size:small;padding-left:4px;}

Publication Activity (10 Years)

Top Topics

Top Venues

Wai-Yim Ching