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ORCIDComputational Biology and Chemistry, Volume 64
Volume 64, October 2016
- Jaap Heringa, Wentian Li
, Jeffry D. Madura:
Editorial. vii-viii - Tariq Mahmood, Najeeb Ullah Bakht, Ejaz Aziz:
Computational analysis of atpB gene promoter from different Pakistani apple varieties. 1-8 - Irfan Ahmad Bhat, Mohd Ashraf Rather, Jaffer Yousuf Dar, Rupam Sharma:
Molecular cloning, computational analysis and expression pattern of forkhead box l2 (Foxl2) gene in catfish. 9-18 - Victor G. Levitsky, Dmitry Yu. Oshchepkov, Nataly V. Klimova, Elena V. Ignatieva, Gennady V. Vasiliev, Vasily M. Merkulov, Tatyana I. Merkulova:
Hidden heterogeneity of transcription factor binding sites: A case study of SF-1. 19-32 - Ramesh Itteboina, Srilata Ballu, Sree Kanth Sivan, Vijjulatha Manga:
Molecular docking, 3D QSAR and dynamics simulation studies of imidazo-pyrrolopyridines as janus kinase 1 (JAK 1) inhibitors. 33-46 - Roopa. L, Pravin Kumar. R, Sudheer Mohammed M. M.:
Molecular dynamics and high throughput binding free energy calculation of anti-actin anticancer drugs - New insights for better design. 47-55 - Niklas Laasch, Monoj Mon Kalita, Stephen Griffin, Wolfgang B. Fischer:
Small molecule ligand docking to genotype specific bundle structures of hepatitis C virus (HCV) p7 protein. 56-63 - V. Natchimuthu, Srinivas Bandaru, Anuraj Nayarisseri, S. Ravi:
Design, synthesis and computational evaluation of a novel intermediate salt of N-cyclohexyl-N-(cyclohexylcarbamoyl)-4-(trifluoromethyl) benzamide as potential potassium channel blocker in epileptic paroxysmal seizures. 64-73 - Yasaman Tavakoli, Abolghasem Esmaeili, Hossein Saber:
Increasing thermal stability and catalytic activity of glutamate decarboxylase in E. coli: An in silico study. 74-81 - C. M. Khaled Saifullah, Md. Rafiqul Islam:
Chemical reaction optimization for solving shortest common supersequence problem. 82-93 - Chang-Yong Lee:
A model for the clustered distribution of SNPs in the human genome. 94-98 - Samie Salehi, Amir Shokooh Saljooghi, Mohammad Izadyar:
A theoretical study on the electronic structures and equilibrium constants evaluation of Deferasirox iron complexes. 99-106 - Galuh Wening Permatasari, Didik H. Utomo, Widodo:
Designing peptide inhibitor of insulin receptor to induce diabetes mellitus type 2 in animal model Mus musculus. 107-112 - Nadtanet Nunthaboot, Kiattisak Lugsanangarm, Somsak Pianwanit, Sirirat Kokpol, Fumio Tanaka, Takeshi Nakanishi, Masaya Kitamura:
Conformational difference between two subunits in flavin mononucleotide binding protein dimers from Desulfovibrio vulgaris (MF): molecular dynamics simulation. 113-125 - Jun Yao, Xiaojuan Zhao, Xi Ding:
Systematic profiling of chemotherapeutic drug response to EGFR gatekeeper mutation in non-small cell lung cancer. 126-133 - Ozal Mutlu, Sinem Yakarsonmez, Emrah Sariyer, Ozkan Danis, Basak Yuce-Dursun, Murat Topuzogullari, Ekrem Akbulut, Dilek Turgut-Balik:
Comprehensive structural analysis of the open and closed conformations of Theileria annulata enolase by molecular modelling and docking. 134-144 - Arijit Pal, Anusri Tripathi:
An in silico approach to elucidate structure based functional evolution of oxacillinase. 145-153 - Noopur Singh, Swati Srivastava, Ajit K. Shasany, Ashok Sharma:
Identification of miRNAs and their targets involved in the secondary metabolic pathways of Mentha spp. 154-162 - Kendall G. Byler, Jasmine Collins, Ifedayo Victor Ogungbe, William N. Setzer:
Alphavirus protease inhibitors from natural sources: A homology modeling and molecular docking investigation. 163-184 - Mahboob Alam, Dong-Ung Lee:
Synthesis, spectroscopic and computational studies of 2-(thiophen-2-yl)-2, 3-dihydro-1H-perimidine: An enzymes inhibition study. 185-201 - Moawiah M. Naffaa, Abdul Samad:
The binding mode of picrotoxinin in GABAA-ρ receptors: Insight into the subunit's selectivity in the transmembrane domain. 202-209 - Xin-Li Mao, Feng Zhu, Zhao-Hu Pan, Guo-Min Wu, Hong-Yuan Zhu:
Revisiting the structural basis and energetic landscape of susceptibility difference between HLA isotypes to allergic rhinitis. 210-216 - Anuj Kumar, Sanjay Kumar, Upendra Kumar, Prashanth Suravajhala, M. N. V. Prasad Gajula:
Functional and structural insights into novel DREB1A transcription factors in common wheat (Triticum aestivum L.): A molecular modeling approach. 217-226 - Chetna Tyagi, Archana Singh, Indrakant Kumar Singh:
Mechanistic insights into mode of action of rice allene oxide synthase on hydroxyperoxides: An intermediate step in herbivory-induced jasmonate pathway. 227-236 - Mohammed Nooraldeen Al-Qattan, Mohd Nizam Mordi, Sharif Mahsofi Mansor:
Assembly of ligands interaction models for glutathione-S-transferases from Plasmodium falciparum, human and mouse using enzyme kinetics and molecular docking. 237-249 - Mousumi Sahu, Bibekanand Mallick:
An integrative approach predicted co-expression sub-networks regulating properties of stem cells and differentiation. 250-262 - Gholam-Hossein Jowkar, Eghbal G. Mansoori:
Perceptron ensemble of graph-based positive-unlabeled learning for disease gene identification. 263-270 - Mahmoud Kandeel, Abdullah Altaher, Yukio Kitade, Magdi Abdelaziz, Mohamed Alnazawi, Kamal Elshazli:
Evolution of camel CYP2E1 and its associated power of binding toxic industrial chemicals and drugs. 271-280 - Elena Ermakova:
Structural insight into the glucokinase-ligands interactions. Molecular docking study. 281-296 - William R. Taylor:
Steric exclusion and constraint satisfaction in multi-scale coarse-grained simulations. 297-312 - Simanti Bhattacharya, Amit Das, Angshuman Bagchi:
In-silico structural analysis of E509K mutation in LARGE and T192M mutation in Alpha Dystroglycan in the inhibition of glycosylation of Alpha Dystroglycan by LARGE. 313-321 - Khalid Raza, Mansaf Alam:
Recurrent neural network based hybrid model for reconstructing gene regulatory network. 322-334 - Zohreh Amini, Mohammad Hossein Fatemi, Sajjad Gharaghani:
Hybrid docking-QSAR studies of DPP-IV inhibition activities of a series of aminomethyl-piperidones. 335-345 - Ganesh Selvaraj Duraisamy, Ajay Kumar Mishra, Tomas Kocabek, Jaroslav Matousek:
Identification and characterization of promoters and cis-regulatory elements of genes involved in secondary metabolites production in hop (Humulus lupulus. L). 346-352 - G. Arun Kumar, C. Sharanya Suresh, P. M. Sandeep, C. Sadasivan:
Inhibitory activity of hibifolin on adenosine deaminase- experimental and molecular modeling study. 353-358 - K. C. Sivakumar, T. P. Sajeevan, I. S. Bright Singh:
Marine derived compounds as binders of the White spot syndrome virus VP28 envelope protein: In silico insights from molecular dynamics and binding free energy calculations. 359-367 - Tomonori Osajima, Tyuji Hoshino:
Roles of the respective loops at complementarity determining region on the antigen-antibody recognition. 368-383 - Abdolvahed Pari, Ahmad Baraani, Saeed Parseh:
NSAMD: A new approach to discover structured contiguous substrings in sequence datasets using Next-Symbol-Array. 384-395 - Aswathy Narayanan, Dileep Pullepu, M. Anaul Kabir:
The interactome of CCT complex - A computational analysis. 396-402 - Yun Ding, Ye Fang, Juana Moreno, J. Ramanujam, Mark Jarrell, Michal Brylinski:
Assessing the similarity of ligand binding conformations with the Contact Mode Score. 403-413 - Monikaben Padariya, Umesh Kalathiya:
Structure-based design and evaluation of novel N-phenyl-1H-indol-2-amine derivatives for fat mass and obesity-associated (FTO) protein inhibition. 414-425
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