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ChemRN: Chemoinformatics (Topic)

68 Total downloads

Viewing: 1 - 50 of 103 papers

1.

Cheminformatics Tools for Analyzing and Designing Optimized Small Molecule Collections and Libraries

Number of pages: 45 Posted: 30 May 2019
Working Paper Series
Harvard University - Department of Systems Biology, University of Cincinnati - Division of Biostatistics and Bioinformatics, Harvard University - Department of Systems Biology, Novartis Institutes for Biomedical Research, Novartis Institutes for Biomedical Research, University of Cincinnati - Division of Biostatistics and Bioinformatics, Harvard University - Department of Cancer Biology, Dana-Farber/Harvard Cancer Center - Department of Cancer Biology, Novartis Institutes for Biomedical Research and Harvard University - Department of Systems Biology
Downloads 17
2.

Amino Acid Assisted Chemical Catalytic Computing Device

Science Direct Working Paper No S1574-0331(04)70002-8
Number of pages: 7 Posted: 02 Jun 2017 Last Revised: 06 Jan 2018
Working Paper Series
Hoffmann-La Roche, Inc.
Downloads 11
3.

A Structural Bioinformatics Study of Calcium Dependent Protein Kinase 6 (CDPK6) of Cryptosporidium Parvum for Identification of Novel Therapeutics

Number of pages: 2 Posted: 07 Feb 2020 Last Revised: 10 Feb 2020
Working Paper Series
KIIT DEEMED TO BE UNIVERSITY, KIIT DEEMED TO BE UNIVERSITY and KIIT DEEMED TO BE UNIVERSITY
Downloads 7
4.

Molecular Docking Studies of 1, 3- Thiazolidin-4-Ones as Potential Human Polo Like Kinase 1 (Plk 1) Inhibitors

Number of pages: 1 Posted: 18 Feb 2020 Last Revised: 20 Feb 2020
Working Paper Series
Dr.Vithalrao Vikhe Patil College of Pharmacy Ahmednagar, Dr.Vithalrao Vikhe Patil College of Pharmacy Ahmednagar, Dr.Vithalrao Vikhe Patil College of Pharmacy Ahmednagar and Dr.Vithalrao Vikhe Patil College of Pharmacy Ahmednagar
Downloads 6
5.

Towards the Second Edition of the Book “QSAR-Mapping and SBGN-Mapping for Biological Samples (Lecture Course and Special Practicum)”

Number of pages: 13 Posted: 02 Oct 2019
Working Paper Series
Semenov Institute of Chemical Physics
Downloads 6
6.

How Chemistry Computes: Language Recognition by Non-Biochemical Chemical Automata

Number of pages: 60 Posted: 07 May 2019
Working Paper Series
Repsol Technology Center and Harvard University - Department of Earth and Planetary Sciences
Downloads 5
7.

In Silico Structure-Based Identification and Analysis of Viral Protease Inhibitors Targeting Chikungunya Virus Replication

Number of pages: 1 Posted: 10 Feb 2020
Working Paper Series
Indian Institute of Technology (IIT), Roorkee - Department of Biotechnology, affiliation not provided to SSRN and Indian Institute of Technology (IIT), Roorkee - Department of Biotechnology
Downloads 5
8.

Discovery Of Novel Sulphamidopyrimidine Derivatives As Novel Brd4 And Cox2 Inhibitors In Cancer And Inflammation – Synthesis, Structure – Activity Relationship And In-Vitro Efficacy

Number of pages: 1 Posted: 05 Feb 2020 Last Revised: 09 Feb 2020
Working Paper Series
ABMRCP, ABMRCP and Acharya & BM Reddy College of Pharmacy
Downloads 4
9.

Long-Range Regulation Of Neurodegenerative Self-Assembly In Partially Folded Amyloid-Forming Helical Peptides (Poster)

Number of pages: 1 Posted: 20 Feb 2020
Working Paper Series
University of Limerick, University of Limerick and University of Limerick
Downloads 4
10.

Fast Computation of Cross-Validated Properties in Full Linear Leave-Many-Out Procedures

Science Direct Working Paper No S1574-0331(04)70421-X
Number of pages: 21 Posted: 31 May 2017 Last Revised: 16 Dec 2017
Working Paper Series
University of Girona
Downloads 3
11.

A Comparative In Silico Study of Dengue NS3 Protease Inhibitors From Published Literature

Posted: 20 Feb 2020
Working Paper Series
Dept. of Pharmaceutical sciences & Technology, Birla Institute of Technology, BIT Mesra, Department of Pharm. Sci & Tech., Independent and Dept. of Pharmaceutical sciences & Technology, Birla Institute of Technology
12.

Affinity Maturation of Antibodies against PD-L1 via In Silico Site-Directed Mutagenesis

Posted: 12 Feb 2020
Working Paper Series
Netaji Subhas University of Technology (formerly NSIT), Netaji Subhas University of Technology (formerly NSIT) and Netaji Subhas University of Technology (formerly NSIT)
13.

Antifungal Evaluation and Docking Studies of Some Urea Tethered-1,2, 3-Triazoles

Posted: 10 Feb 2020
Working Paper Series
affiliation not provided to SSRN
14.

Artificial Intelligence in New Drug Discovery

Posted: 06 Feb 2020
Working Paper Series
Institute of Post Graduate Medical Education and Research
15.

Auto QSAR - a Fast Approach for the Creation and Application of QSAR Models Through Automation

Posted: 07 Feb 2020
Working Paper Series
Dr. Babasaheb Ambedkar Marathwada University, Independent, Dr. Babasaheb Ambedkar Marathwada University and Dr. Babasaheb Ambedkar Marathwada University
17.
18.

Catechol Based Urease Inhibitors as Potential Candidates to Treat Helicobacter Pylori Infection: An In-Silico Approach

Posted: 13 Feb 2020
Working Paper Series
CV Raman College of Engineering, Rajendra College, APS College, Sambalpur University and Gangadhar Meher University
19.

Characterization of Protein-Protein and Protein-Peptide Interactions: Implication for Biologics Design

Posted: 05 Feb 2020
Working Paper Series
Central University of South Bihar
20.

Computational Investigations on Reversal Effect of Acetogenins on Multidrug Resistance Mediated by ABCB1

Posted: 07 Feb 2020
Working Paper Series
PSG COLLEGE OF TECHNOLOGY, PSG COLLEGE OF TECHNOLOGY, PSG College of Technology and PSG College of Pharmacy
21.

Computational Screening and Validation of Suitable Natural Compounds Against Peripheral Metabolism of L-Dopa: An Alternative Approach Towards Treatment of Parkinson’s Disease

Posted: 19 Feb 2020
Working Paper Series
Department of Bioinformatics, Odisha University of Agriculture and Technology and Neurobiology Laboratory, Department of Zoology, School of Life Sciences, Ravenshaw University
22.

Computational Study Targeting β Amyloid Protein for the Design and Development of Alzheimer Drugs

Posted: 07 Feb 2020
Working Paper Series
Faculty of Pharmacy, Dr.M.G.R Educational and Research Institute, Velappanchavadi, Chennai-600077. and Dr.N.Harikrishnan
23.

Conserved Glycoprotein Sequence Recognition for Modelling of Antiretroviral Drug Candidates

Posted: 19 Feb 2020
Working Paper Series
University of Rajasthan and University of Rajasthan
24.

Crystal Structures of Nucleoside Di Phosphate Kinase From Acinetobacter Baumannii and Pseudomonas Aeruginosa

Posted: 14 Feb 2020
Working Paper Series
All India Institute of Medical Sciences (AIIMS), Independent, Independent, Independent and Independent
25.

Data Mining and Pathway Analysis of Drugs Using Different Tools in the Context of Rare Diseases

Posted: 07 Feb 2020
Working Paper Series
Birla Institute of Technology, Mesra
26.

Design and Development of Dengue NS5 Methyltransferase Inhibitors

Posted: 11 Feb 2020
Working Paper Series
BIT Mesra, BIT Mesra, BIT Mesra and Department of Pharm. Sci & Tech.
27.

Design and Development of Tetraoxane Conjugated Mannich Bases for Malaria-An In Silico Approach

Posted: 30 Jan 2020
Working Paper Series
Amrita School Of Pharmacy and Amrita School Of Pharmacy
28.

Design of Focused Library of C-Di-GMP Analogues Based on 3-D Shape Similarity, Structural Diversity and Drug Likeness

Posted: 06 Feb 2020
Working Paper Series
Dr. D. Y. Patil Institute of Pharmaceutical Sciences and Research, Ambernath Organics and Bombay College of Pharmacy
31.

Design, Synthesis and Molecular Docking Simulation of a New Series of Triheterocyclic Derivatives As Effective Inhibitors of Antibacterial Target Escherichia Coli FabH

Posted: 07 Feb 2020
Working Paper Series
affiliation not provided to SSRN, Mangalore University, Mangalagangothri, Mangalore University, Mangalagangothri and Mangalore University, Mangalagangothri
33.

Designing Potent Inhibitors for Survivin Protein

Posted: 13 Feb 2020
Working Paper Series
The Red-Green Research Centre, The Red-Green Research Centre, The Red-Green Research Centre, University of the Ryukyus - Department of Bioscience and Biotechnology and The Red-Green Research Centre
35.

Discovery of Novel Small-Molecule Tyrosine Kinase Inhibitors of Egfr and Her-2 by Ligand Based Virtual Screening.

Posted: 07 Feb 2020
Working Paper Series
Acharya & BM Reddy College of Pharmacy, Acharya & BM Reddy College of Pharmacy and Acharya & BM Reddy College of Pharmacy
36.

Discovery of Prospective CDK4 Inhibitor Molecules Through Virtual Screening Augmented by Molecular Docking and In Vitro Studies

Posted: 03 Feb 2020
Working Paper Series
Milad-E-Sherief Memorial Colllege and Milad-E-Sherief Memorial College
37.

Discriminations of Actives from Inactives HDAC8 Inhibitors: Molecular Modeling Study to Explore Essential Molecular Fingerprints

Posted: 07 Feb 2020
Working Paper Series
Jadavpur University, Kolkata, Jadavpur University - Department of Pharmaceutical Technology, Jadavpur University - Department of Pharmaceutical Technology and Jadavpur University - Department of Pharmaceutical Technology
38.

Evaluating the Role of Diverse Substitutions on Nitrogen-Containing Heterocyclic Scaffold Based on CADD and Biological Studies for Alzheimer’s Disease

Posted: 19 Feb 2020
Working Paper Series
K. M. Kundnani College of Pharmacy, K. M. Kundnani College of Pharmacy and Prin K M kundnani College of Pharmacy
40.

Exploring Structural Requirements of Diarylurea Derivatives as VEGFR-2 Inhibitors Through Comparative QSAR Modeling Study

Posted: 07 Feb 2020
Working Paper Series
Jadavpur University - Department of Pharmaceutical Technology, Jadavpur University - Department of Pharmaceutical Technology, Jadavpur University, Kolkata and Jadavpur University - Department of Pharmaceutical Technology
42.

Identification and Analysis of Potential Core Genes, Novel Drug Targets and Significant Neighbouring Pathways Associated With Development of Type 2 Diabetes

Posted: 10 Feb 2020
Working Paper Series
Sir M Visvesvaraya Institute of Technology, sir M Vivesvaraya institute of technology, Sir M Visvesvaraya Institute Of Technology, Sir M Visvesvaraya Institute of Technology and Sir M Visvesvaraya Institute of Technology
43.

Identification and Evaluation of Peptide Based Vaccine Candidates From Mycobacterium Tuberculosis Genome

Posted: 05 Feb 2020
Working Paper Series
KIIT University, Bhubaneswar Odisha , India. and Indian Institute of Technology (IIT), Indore
44.

Identification and Validation of Novel Inhibitor Against Chorismate Synthase of Toxoplasma Gondii

Posted: 13 Feb 2020 Last Revised: 20 Feb 2020
Working Paper Series
University of Hyderabad and University of Hyderabad
46.

Identification of Novel Potential Therapeutics Against Human PHD3 as a Drug Target for Type 2 Diabetes Mellitus

Posted: 07 Feb 2020
Working Paper Series
Dept. of Chemistry, Nizam College, Osmania University, Dept. of Chemistry, Nizam College, Osmania University, Dept. of Chemistry, Nizam College, Osmania University and Nizam College Osmania University
49.

Identifying the Role of Quercetin Against Infectious Diarrhoea Caused by Different Pathogenic Strains of Escherichia Coli Using in Silico Method

Posted: 10 Feb 2020
Working Paper Series
Rashtrasant Tukdoji Maharaj Nagpur University - University Department of Pharmaceutical Sciences, Mohanlal Shukhadia University, University Department of Pharmaceutical Sciences and Rashtrasant Tukdoji Maharaj Nagpur University - University Department of Pharmaceutical Sciences
50.

In Silico Chemo Preventive Analysis and Interaction of Phytochemicals Present in Punica Granatum Peel and Vitis Vinifera Seeds Against P53 and Nf-κB Proteins

Posted: 05 Feb 2020 Last Revised: 05 Feb 2020
Working Paper Series
Vels Institute of Science, Technology and Advanced Studies (VISTAS) and Bharathi Women's College (Autonomous)