R. E. Salmas

发表

Identification of novel serotonin reuptake inhibitors targeting central and allosteric binding sites: A virtual screening and molecular dynamics simulations study.

Ismail Erol, Busecan Aksoydan, Isik Kantarcioglu, 2017, Journal of molecular graphics & modelling.

Virtual screening of eighteen million compounds against dengue virus: Combined molecular docking and molecular dynamics simulations study.

Serdar Durdagi, Ramin Ekhteiari Salmas, Shaher Bano Mirza, 2016, Journal of molecular graphics & modelling.

Structure-based design of hERG-neutral antihypertensive oxazalone and imidazolone derivatives.

Ismail Erol, Busecan Aksoydan, Isik Kantarcioglu, 2018, Journal of molecular graphics & modelling.

Integration of multi-scale molecular modeling approaches with experiments for the in silico guided design and discovery of novel hERG-Neutral antihypertensive oxazalone and imidazolone derivatives and analysis of their potential restrictive effects on cell proliferation.

G. Liapakis, Y. Ergun, Ismail Erol, 2018, European journal of medicinal chemistry.

Synthesis, anticholinesterase activity and molecular modeling study of novel carbamate-substituted thymol/carvacrol derivatives.

R. E. Salmas, S. Durdağı, F. Sonmez, 2017, Bioorganic & medicinal chemistry.

Solubility profiles, hydration and desolvation of curcumin complexed with γ-cyclodextrin and hydroxypropyl-γ-cyclodextrin

R. E. Salmas, S. Durdağı, N. Roewer, 2017 .

Atomistic molecular dynamics simulations of typical and atypical antipsychotic drugs at the dopamine D2 receptor (D2R) elucidates their inhibition mechanism

R. E. Salmas, S. Durdağı, M. Yurtsever, 2017, Journal of biomolecular structure & dynamics.

Oligomerization and cooperativity in GPCRs from the perspective of the angiotensin AT1 and dopamine D2 receptors

Ismail Erol, Busecan Aksoydan, Isik Kantarcioglu, 2019, Neuroscience Letters.

Binding Interactions of Dopamine and Apomorphine in D2High and D2Low States of Human Dopamine D2 Receptor Using Computational and Experimental Techniques.

P. Seeman, R. E. Salmas, S. Durdağı, 2016, ACS chemical neuroscience.

HDXmodeller: an online webserver for high-resolution HDX-MS with auto-validation

A. Borysik, R. E. Salmas, 2021, Communications Biology.

Mutated form (G52E) of inactive diphtheria toxin CRM197: molecular simulations clearly display effect of the mutation to NAD binding

R. E. Salmas, S. Durdağı, M. Yurtsever, 2016, Journal of biomolecular structure & dynamics.

The signaling pathway of dopamine D2 receptor (D2R) activation using normal mode analysis (NMA) and the construction of pharmacophore models for D2R ligands

P. Seeman, Ismail Erol, R. E. Salmas, 2017, Journal of biomolecular structure & dynamics.

Modeling and protein engineering studies of active and inactive states of human dopamine D2 receptor (D2R) and investigation of drug/receptor interactions

R. E. Salmas, S. Durdağı, M. Stein, 2015, Molecular Diversity.

Effects of propolis, caffeic acid phenethyl ester, and pollen on renal injury in hypertensive rat: An experimental and theoretical approach

Z. Selamoğlu, R. E. Salmas, S. Durdağı, 2017, Cell biochemistry and function.

In silico investigation of PARP-1 catalytic domains in holo and apo states for the design of high-affinity PARP-1 inhibitors

R. E. Salmas, S. Durdağı, S. Noskov, 2016, Journal of enzyme inhibition and medicinal chemistry.

Kinetic and docking studies of cytosolic/tumor-associated carbonic anhydrase isozymes I, II and IX with some hydroxylic compounds

C. Supuran, D. Vullo, R. E. Salmas, 2016, Journal of enzyme inhibition and medicinal chemistry.

Fullerene‐based inhibitors of HIV‐1 protease

C. Supuran, A. Barron, R. E. Salmas, 2015, Journal of peptide science : an official publication of the European Peptide Society.

Evaluation of collagenase, elastase and tyrosinase inhibitory activities of Cotinus coggygria Scop. through in vitro and in silico approaches

R. E. Salmas, I. Orhan, H. Yusufoglu, 2020, South African Journal of Botany.

Monte Carlo Simulations of HCN Adsorption in LTA zeolites

R. E. Salmas, M. G. Ahunbay, B. Demir, 2013 .

Acetylcholinesterase and carbonic anhydrase inhibitory properties of novel urea and sulfamide derivatives incorporating dopaminergic 2-aminotetralin scaffolds.

C. Supuran, R. E. Salmas, S. Durdağı, 2016, Bioorganic & medicinal chemistry.

Analysis of Glutamate Agonist LY 404 , 039 at Dopamine Receptor D 2 Dimeric Models Using Multiscale Molecular Modeling Approaches

P. Seeman, Ismail Erol, Busecan Aksoydan, 2017 .

The Journal of Toxicological Sciences

R. E. Salmas, N. Roewer, C. Förster, 2012 .

Modeling and protein engineering studies of active and inactive states of human dopamine D2 receptor (D2R) and investigation of drug/receptor interactions

R. E. Salmas, S. Durdağı, M. Stein, 2015, Molecular Diversity.

The synthesis of novel sulfamides derived from β-benzylphenethylamines as acetylcholinesterase, butyrylcholinesterase and carbonic anhydrase enzymes inhibitors.

C. Supuran, R. E. Salmas, S. Durdağı, 2017, Bioorganic chemistry.

Carbonic anhydrase inhibitory properties of novel benzylsulfamides using molecular modeling and experimental studies.

A. Naderi, R. E. Salmas, S. Durdağı, 2014, Bioorganic chemistry.

Carbonic anhydrase inhibitors: Design, synthesis, kinetic, docking and molecular dynamics analysis of novel glycine and phenylalanine sulfonamide derivatives.

C. Supuran, R. E. Salmas, S. Durdağı, 2015, Bioorganic & medicinal chemistry.

7-Acetoxyhorminone from Salvia multicaulis Vahl. as Promising Inhibitor of 3-Hydroxy-3-methylglutaryl Coenzyme A (HMG-CoA) Reductase

R. E. Salmas, I. Orhan, Serkan Yigitkan, 2022, Pharmaceuticals.

Evaluation of Anti‐Alzheimer Activity of Synthetic Coumarins by Combination of in Vitro and in Silico Approaches

R. E. Salmas, K. Skalicka‐Woźniak, S. Luca, 2022, Chemistry & biodiversity.

Silver–Sodium Ion Exchange Dynamics in LTA Zeolite Membranes

R. E. Salmas, M. G. Ahunbay, B. Demir, 2013 .

Molecular modeling and in vitro approaches towards cholinesterase inhibitory effect of some natural xanthohumol, naringenin, and acyl phloroglucinol derivatives.

R. E. Salmas, S. Durdağı, I. Orhan, 2018, Phytomedicine : international journal of phytotherapy and phytopharmacology.

In vitro and in silico approaches to appraise Polygonum maritimum L. as a source of innovative products with anti-ageing potential

L. Barreira, L. Custódio, J. Varela, 2018 .

Discovering novel carbonic anhydrase type IX (CA IX) inhibitors from seven million compounds using virtual screening and in vitro analysis

R. E. Salmas, S. Durdağı, Murat Senturk, 2015, Journal of enzyme inhibition and medicinal chemistry.

Investigation of inhibition of human glucose 6-phosphate dehydrogenase by some 99mTc chelators by in silico and in vitro methods

R. E. Salmas, S. Durdağı, M. Şentürk, 2016, Journal of Enzyme Inhibition and Medicinal Chemistry.

Evaluation of the potential toxicity of unmodified and modified cyclodextrins on murine blood-brain barrier endothelial cells.

R. E. Salmas, N. Roewer, C. Förster, 2016, The Journal of toxicological sciences.

Combined molecular modeling and cholinesterase inhibition studies on some natural and semisynthetic O-alkylcoumarin derivatives.

S. Genovese, F. Epifano, R. E. Salmas, 2019, Bioorganic chemistry.

Investigation of Inhibition Mechanism of Chemokine Receptor CCR5 by Micro-second Molecular Dynamics Simulations

R. E. Salmas, S. Durdağı, M. Yurtsever, 2015, Scientific Reports.

Profiling the annual change of the neurobiological and antioxidant effects of five Origanum species in correlation with their phytochemical composition.

R. E. Salmas, K. Skalicka‐Woźniak, I. Orhan, 2021, Food chemistry.

Elucidation of Conformational States, Dynamics, and Mechanism of Binding in Human κ-Opioid Receptor Complexes

Serdar Durdagi, Manthos G. Papadopoulos, Georgios Leonis, 2014, J. Chem. Inf. Model..

Characterization, in Vivo Evaluation, and Molecular Modeling of Different Propofol-Cyclodextrin Complexes To Assess Their Drug Delivery Potential at the Blood-Brain Barrier Level

Serdar Durdagi, Horacio Emilio Pérez Sánchez, Ramin Ekhteiari Salmas, 2016, J. Chem. Inf. Model..

X-ray crystalographic data, absolute configuration, and anticholinesterase effect of dihydromyricitrin 3-O-rhamnoside

R. E. Salmas, I. Orhan, F. S. Şenol Denİz, 2022, Scientific Reports.

Molecular Simulations of Solved Co-crystallized X-Ray Structures Identify Action Mechanisms of PDEδ Inhibitors.

R. E. Salmas, S. Durdağı, S. Noskov, 2015, Biophysical journal.

Binding Interactions of Dopamine and Apomorphine in D2High and D2Low States of Human Dopamine D2 Receptor Using Computational and Experimental Techniques.

P. Seeman, R. E. Salmas, S. Durdağı, 2016, ACS chemical neuroscience.

The synthesis of novel sulfamides derived from β-benzylphenethylamines as acetylcholinesterase, butyrylcholinesterase and carbonic anhydrase enzymes inhibitors.

C. Supuran, R. E. Salmas, S. Durdağı, 2017, Bioorganic chemistry.

Atomistic molecular dynamics simulations of typical and atypical antipsychotic drugs at the dopamine D2 receptor (D2R) elucidates their inhibition mechanism

R. E. Salmas, S. Durdağı, M. Yurtsever, 2017, Journal of biomolecular structure & dynamics.

The Signaling Pathway of Dopamine D 2 Receptor ( D 2 R ) Activation Using Normal Mode Analysis ( NMA ) and the Construction of Universal Pharmacophore Models for D 2 R Inhibitors

P. Seeman, R. E. Salmas, S. Durdağı, 2017 .

Discovery of selective dengue virus inhibitors using combination of molecular fingerprint-based virtual screening protocols, structure-based pharmacophore model development, molecular dynamics simulations and in vitro studies.

Shaher Bano Mirza, J. Chu, R. E. Salmas, 2017, Journal of molecular graphics & modelling.

First universal pharmacophore model for hERG1 K+ channel activators: acthER.

R. E. Salmas, S. Durdağı, S. Noskov, 2017, Journal of molecular graphics & modelling.