| Basak, Subhash C. |
TBD |
Department of Chemistry and Biochemistry, University of Minnesota, Duluth, MN, USA |
| Basic Nino |
Nut graphs and their symmetry |
FAMNIT, University of Primorska, Koper, Slovenia, and IMFM, Ljubljana, Slovenia |
| Bhattacharjee AK |
Pharmacophore recognition of known insect repellents may aid discovery of potential new repellents from database searches including augmentation of machine learning based searches |
Georgetown University, USA |
| Bielinka- Waz Dorota |
An Alignment-Free Bioinformatics Method |
Department of Radiological Informatics and Statistics, Medical University of Gdańsk, 80-210 Gdańsk, Poland |
| Chattaraj, Pratim K. |
All-metal aromaticity and conceptual DFT |
Department of Chemistry, Birla Institute of Technology Mesra, Ranchi- 835215, Jharkhand, India |
| Chatterjee Samrat |
Studying cancer biology through networks and mathematical models |
6 Chatterjee Samrat Studying cancer biology through networks and mathematical models Associate Professor, Complex analysis Group, Computational and Mathematical Biology Centre, BRIC-Translational Health Science and Technology Institute, Dept of Biotechnology, Govt Of India, NCR Biotech Science Cluster, Faridabad- 121001 (Haryana), India |
| Chatterjee, Snigdhansu |
TBD |
University of Maryland, USA |
| Claudiu Lungu (1,2) and Mihai Putz (3) |
Rhombelane based COVID vaccines |
1) Department of Functional and Morphological Science, Faculty of Medicine and Pharmacy, Dunarea de Jos University, 800010 Galati, Romania; 2) Faculty of Chemistry, Alexandru Ioan Cuza University of Iasi, 11 Carol 1st Bvd, 700506 Iasi, Romania, 3) West University of Timișoara, Faculty of Chemistry, Biology, Geography, Laboratory of Structural and Computational Physical Chemistry for Nanoscience and QSAR, Str. Pestalozzi 16 A, Timișoara 300115, Romania |
| Claudiu N. Lungu (1,2), Ionel I. Mangalagiu (2), Gabriela Gurau (1,2), and Mihaela Cezarina Mehedinti (1) |
Variations of VEGFR2 Chemical Space: Stimulator and Inhibitory Peptides |
1) Department of Functional and Morphological Science, Faculty of Medicine and Pharmacy, Dunarea de Jos University, 800010 Galati, Romania; 2) Faculty of Chemistry, Alexandru Ioan Cuza University of Iasi, 11 Carol 1st Bvd, 700506 Iasi, Romania |
| Claudiu N. Lungu (1,2), Ionel I. Mangalagiu (2) and Mihaela Cezarina Mehedinti (1) |
PGE1 mediated vasculogenesis and morphogenesis |
10 Claudiu N. Lungu (1,2), Ionel I. Mangalagiu (2) and Mihaela Cezarina Mehedinti (1) PGE1 mediated vasculogenesis and morphogenesis 1) Department of Functional and Morphological Science, Faculty of Medicine and Pharmacy, Dunarea de Jos University, 800010 Galati, Romania; 2) Faculty of Chemistry, Alexandru Ioan Cuza University of Iasi, 11 Carol 1st Bvd, 700506 Iasi, Romania |
| Constanza Cardenas Carvajal (1), Marjan Vracko (2), Smarajit Manna (3) and Subhash C. Basak (4) |
Chemometric characterization of Infectious salmon anemia (ISA) virus sequences using alignment-free sequence descriptors |
11 Constanza Cardenas Carvajal (1), Marjan Vracko (2), Smarajit Manna (3) and Subhash C. Basak (4) Chemometric characterization of Infectious salmon anemia (ISA) virus sequences using alignment-free sequence descriptors 1) Núcleo Biotecnología Curauma, Pontificia Universidad Católica de Valparaíso, Fono: 56322274826, Av. Universidad 330 Curauma, Valparaíso-Chile;2)National Institute of Chemistry, Ljubljana, Slovenia; 3) Jagadis Bose National Science Talent Search, 1300 Rajdanga Main Road, Kolkata – 700107, INDIA; 4) Department of Chemistry and Biochemistry, University of Minnesota, Duluth, MN, USA
|
| Doslic Nadja |
Simulating Optical Properties of Organic and Biomaterials. |
Institut Ruđer Bošković, Bijenička cesta 54, 10000 Zagreb, Croatia |
| Doslic Tomislav |
Packing small structures into fullerenes |
University of Zagreb Faculty of Civil Engineering, Kaciceva 26, 10000 Zagreb CROATIA
|
| Duan Jinwei |
Topological Isomers of DNA Polyhedral links. |
School of Sciences, Chang’an University, Xi’an 710064, China |
| Gini, Giuseppina |
Molecular descriptors or machine-generated features? Their impact in predictive modelling and QSAR |
Politecnico di Milano, DEIB, Piazza Leonardo da Vinci 32, 20133, Milano, Italy.
|
| Hu Guang |
Perturbation response scanning of drug-target networks. |
School of Biology and Basic Medical Sciences, Soochow University, P. R. China |
| Igor Kuzmanovski |
Growing counter-propagation artificial neural networks |
Institute of Chemistry, Faculty of Natural Sciences and Mathematics, Ss. Cyril and Methodius University, Skopje, Republic of Macedonia
|
| Lavanya Selvaganesh |
Recent trends in the study of Molecular descriptors using Graph theoretic approach. |
Department of Mathematical Sciences, Indian Institute of Technology (BHU) Varanasi |
| Lim Theam Soon |
Unravelling the Complex Immunorepertoire of an immune library |
Institute for Research in Molecular Medicine, Universiti Sains Malaysia, 11800 Penang, Malaysia; Analytical Biochemistry Research Centre, Universiti Sains Malaysia, 11800 Penang, Malaysia |
| Lucic Bono |
The application of the QSPR methodology can help to improve the prediction of protein folding rates |
Rudjer Bošković Institute, Zagreb, Croatia |
| Manna S & Basak, S. C |
Use of Alignment-Free sequence descriptors (AFSDs) in the computer assisted design of a unified vaccine for all possible strains of any virus. |
1) Jagadis Bose National Science Talent Search, 1300 Rajdanga Main Road, Kolkata – 700107, India. 2) Department of Chemistry and Biochemistry, University of Minnesota, Duluth, MN, USA. |
| Mondal Sourav |
Extremal Graphs for Topological Indices with Given Parameters |
SRM Institute of Science and Technology, Chennai, India |
| Niklas, B(1), Rydzewski, J(1), Nowa , W (1), Lapied, B (2) |
Bioinformatics, computer modeling and mosquitos: Insect sodium channels functioning from a theoretical perspective |
1) Faculty of Physics, Astronomy and Informatics, Nicolaus Copernicus University, Grudziądzka 5, 7-100 Toruń, Poland; 2) University Angers, INRAE, SIFCIR, SFR QUASAV, F-49045 Angers, France |
| Nilar Shahul |
The Search for a Novel Pyruvate Kinase Activator, from a HTS Hit via an impurity to the discovery of a lead series |
Expert Computational Chemist, retired. USA |
| Nitin Sapre |
Decoding Proteomic Mysteries: Advanced Graphical User Interfaces for FASTA Harmonization and In-Silico Mutation Engineering |
Freelance Computational Chemist, India |
| Palyulin Vladimir |
"Neuroprotective AMPA receptor modulators: from computer-aided drug design to synthesis and preclinical studies." |
Department of Chemistry, Lomonosov Moscow State University, Leninskie Gory 1/3, Moscow 119991 Russia |
| Ramanathan Natarajan |
Novel multidimensional chirality descriptors for QSAR of chiral molecules |
Professor and Head, Saranathan College of Engineering, Tiruchirappalli, India |
| Restrepo, G. |
Higher-dimensional structures for a better understanding of the chemical space and its evolution |
Max Planck Institute for Mathematics in the Sciences, Leipzig, Germany |
| Sabirov Denis |
Information-entropy descriptors for chemical reactions |
Institute of Petrochemistry and Catalysis UFRC RAS, Ufa, Russia |
| Saxena, Anil Kumar |
Topological and physicochemical descriptors in drug discovery research |
Ex Chief Scientist & Head, Division of Medicinal & Process Chemistry, Central Drug Research Institute, Lucknow - 226 031, India |
| Selvaganesh, Lavanya |
Recent trends in the study of Molecular descriptors using Graph theoretic approach |
Department of Mathematical Sciences, Indian Institute of Technology (BHU) Varanasi, India |
| Suman Chakravarti |
Building Better Computational Toxicology Solutions with AI and ML |
MultiCase Inc, USA |
| Vracko Marjan |
Clustering of chemicals considering different kinds of molecular representations |
National Institute of Chemistry, Ljubljana, Slovenia |
| Vukenivic Damir and Boskovic, Perica |
BAdriatic graphs and applications in chemistry |
Math department, University of Split - Split / Croatia |