Interplay of thermochemistry and structural chemistry, the journal (volume 24, 2013, issues 1–2) and the discipline
M Ponikvar-Svet, DN Zeiger, LR Keating… - Structural Chemistry, 2013 - Springer
Interplay of thermochemistry and structural chemistry, the journal (volume 24, 2013, issues 1–2)
and the discipline | SpringerLink Skip to main content Advertisement SpringerLink Log in Menu …
and the discipline | SpringerLink Skip to main content Advertisement SpringerLink Log in Menu …
Role of 6-Mercaptopurine in the potential therapeutic targets DNA base pairs and G-quadruplex DNA: insights from quantum chemical and molecular dynamics …
R Radhika, R Shankar, S Vijayakumar… - Journal of …, 2018 - Taylor & Francis
The theoretical studies on DNA with the anticancer drug 6-Mercaptopurine (6-MP) are
investigated using theoretical methods to shed light on drug designing. Among the DNA …
investigated using theoretical methods to shed light on drug designing. Among the DNA …
[HTML][HTML] Evaluation of mutagenic activity of platinum complexes in somatic cells of Drosophila melanogaster
N Allgayer, RA de Campos, LPF Gonzalez… - Food and Chemical …, 2019 - Elsevier
Cisplatin, carboplatin, and oxaliplatin are some of the most often used alkylating
chemotherapeutic agents. In view of the paucity of data on the genotoxicity of oxaliplatin, this …
chemotherapeutic agents. In view of the paucity of data on the genotoxicity of oxaliplatin, this …
New equation for calculating total interaction energy in one noncyclic ABC triad and new insights into cooperativity of noncovalent bonds
S Salehzadeh, F Maleki - Journal of Computational Chemistry, 2016 - Wiley Online Library
In this work, a new equation consist of A⋅⋅⋅ B, B⋅⋅⋅ C, A⋅⋅⋅ BC, and AB⋅⋅⋅ C
interactions is proposed for calculating the total interaction energy of noncyclic ABC triads …
interactions is proposed for calculating the total interaction energy of noncyclic ABC triads …
Theoretical studies on interaction of anticancer drugs (dacarbazine, procarbazine and triethylenemelamine) with normal (AT and GC) and mismatch (GG, CC, AA and …
R Shankar, R Radhika, D Thangamani… - Molecular …, 2015 - Taylor & Francis
This study is an attempt to gain a better understanding of the physicochemical interaction
between novel anticancer drugs and DNA bases. We have employed quantum chemical …
between novel anticancer drugs and DNA bases. We have employed quantum chemical …
An Overview of the factors influencing CK2 ligands and the impact of crystal waters: a theoretical study
P Deepa - Crystal Growth & Design, 2017 - ACS Publications
The aim of the present study is to understand and analyze the factors that are influencing
CK2 ligands and the role of crystal waters. The influence of the crystal waters on the stability …
CK2 ligands and the role of crystal waters. The influence of the crystal waters on the stability …
Understanding the potency of malarial ligand (D44) in plasmodium FKBP35 and modelled halogen atom (Br, Cl, F) functional groups
P Deepa, D Thirumeignanam - Journal of Molecular Graphics and …, 2020 - Elsevier
The present study clearly depicts the understanding of the D44 in Plasmodium FKBP35
around the hinge region. To analyse the binding stability of D44 ligand and to understand …
around the hinge region. To analyse the binding stability of D44 ligand and to understand …
Understanding the potency of fatty acids with the amino acid side chains of bovine β lactoglobulin—A quantum chemical approach
D Palanisamy, BV Pandiyan, T Duraisamy… - Journal of Molecular …, 2017 - Elsevier
The present study aims to spotlight on the strength of interaction between different fatty acids
with the Bovine− lactoglobulin (LGB) protein side chains along with the crystal water …
with the Bovine− lactoglobulin (LGB) protein side chains along with the crystal water …
Insights into the mechanism of binding of the gold (III) dithiocarbamate derivatives to cysteine or DNA purine bases
J Liao, L Zhou - Structural Chemistry, 2016 - Springer
Abstract Complexes Au (DMDT) Br 2 (DMDT= N, N-dimethyldithiocarbamate), Au (ESDT) Br
2 (ESDT= ethylsarcosinedithiocarbamate) and Au (ESDT) Cl 2 are likely to be considered as …
2 (ESDT= ethylsarcosinedithiocarbamate) and Au (ESDT) Cl 2 are likely to be considered as …
Topological analysis of metal–ligand and hydrogen bonds in transition metal hybrid structures–A computational study
S Kavitha, P Deepa, M Karthika, R Kanakaraju - Polyhedron, 2016 - Elsevier
The energy minimized structures of transition metal sulfates templated by 2-
methylpiperazine,(C 5 H 14 N 2)[M (SO 4) 2 (H 2 O) 4]· H 2 O (M= Mn 2+, Fe 2+, Co 2+, Ni …
methylpiperazine,(C 5 H 14 N 2)[M (SO 4) 2 (H 2 O) 4]· H 2 O (M= Mn 2+, Fe 2+, Co 2+, Ni …