Search Result "root mean square deviation (RMSD)"


ParDOCK: An All Atom Energy Based Monte Carlo Docking Protocol for Protein-Ligand Complexes

Journal: Protein & Peptide Letters
Volume: 14 Issue: 7 Year: 2007 Page: 632-646
Author(s): A. Gupta, A. Gandhimathi, P. Sharma, B. Jayaram

Comparative Study of the Derivative and Partial Least Squares Methods Applied to the Spectrophotometric Simultaneous Determination of Atorvastatin and Amlodipine from their Combined Drug Products

Journal: Current Pharmaceutical Analysis
Volume: 3 Issue: 4 Year: 2007 Page: 268-272
Author(s): Siavash Riahi, Mohammad R. Ganjali, Eslam Pourbasheer, Parviz Norouzi

A Large-Scale Comparison of Computational Models on the Residue Flexibility for NMR-derived Proteins

Journal: Protein & Peptide Letters
Volume: 19 Issue: 2 Year: 2012 Page: 244-251
Author(s): Hua Zhang, Hanxiao Shi, Michelle Hanlon

Research Article

Computational Investigation on the MDM2-Idasanutlin Interaction Using the Potential of Mean Force Method

Journal: Current Chemical Biology
Volume: 15 Issue: 3 Year: 2021 Page: 262-270
Author(s): Pundarikaksha Das,Venkata Satish Kumar Mattaparthi

In Silico Identification and Analysis of Drug Resistant Mutants of ABL Tyrosine Kinase Based on Detrimental Missense Mutations

Journal: Current Signal Transduction Therapy
Volume: 6 Issue: 3 Year: 2011 Page: 396-404
Author(s): R. Rajasekaran, C. George Priya Doss, G. Arun Prasad, Rao Sethumadhavan

Research Article

Determination of Novel SARS-CoV-2 Inhibitors by Combination ofMachine Learning and Molecular Modeling Methods

Journal: Medicinal Chemistry
Volume: 20 Issue: 2 Year: 2024 Page: 153-231
Author(s):

A Cross-Docking Study on Matrix Metalloproteinase Family

Journal: Anti-Inflammatory & Anti-Allergy Agents in Medicinal Chemistry
Volume: 14 Issue: 3 Year: 2015 Page: 164-171
Author(s): Mohammad Ramezani,Jamal Shamsara

Biologically Active Ligands for Yersinia Outer Protein H (YopH): Feature Based Pharmacophore Screening, Docking and Molecular Dynamics Studies

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 17 Issue: 7 Year: 2014 Page: 579-595
Author(s): Thangaraju Tamilvanan,Waheeta Hopper

Letter Article

Repurposing of RdRp Inhibitors against SARS-CoV-2 through Molecular Docking Tools

Journal: Coronaviruses
Volume: 1 Issue: 1 Year: 2020 Page: 108-116
Author(s): Rohit Bhatia,Raj Kumar Narang,Ravindra Kumar Rawal

Research Article

Structural Studies of Aminopeptidase P from Plasmodium falciparum: A Novel Target Against Malaria

Journal: Letters in Drug Design & Discovery
Volume: 14 Issue: 3 Year: 2017 Page: 330-338
Author(s): Polaboina Snigdha,Pachineella Lakshmana Rao,Nagu Prakash Prabhu,Insaf Ahmed Qureshi

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