Structural simplification: an efficient strategy in lead optimization

by Shengzheng Wang, Guoqiang Dong, Chunquan Sheng
Published 2019-09-01

HYDEing the false positives – scoring for lead optimization

by Schneider N, Lange G, Klein R, Lemmen C, Rarey M
Published 2011-04-01

In silico Strategies to Support Fragment-to-Lead Optimization in Drug Discovery

by Lauro Ribeiro de Souza Neto, José Teófilo Moreira-Filho, Bruno Junior Neves, Bruno Junior Neves, Rocío Lucía Beatriz Riveros Maidana, Rocío Lucía Beatriz Riveros Maidana, Ana Carolina Ramos Guimarães, Nicholas Furnham, Carolina Horta Andrade, Floriano Paes Silva
Published 2020-02-01

Structure-based molecular modeling in SAR analysis and lead optimization

by Veronika Temml, Zsofia Kutil
Published 2021-01-01

LeadOp+R: Structure-Based Lead Optimization With Synthetic Accessibility

by Fang-Yu Lin, Emilio Xavier Esposito, Yufeng J. Tseng, Yufeng J. Tseng
Published 2018-03-01

Non-Clinical Contribution to Clinical Trials during Lead Optimization Phase

by Lázara Martínez Muñoz
Published 2018-01-01

Quantum Chemical Approaches in Structure-Based Virtual Screening and Lead Optimization

by Claudio N. Cavasotto, Natalia S. Adler, Maria G. Aucar
Published 2018-05-01

Hit-to-lead optimization of small molecules for neglected tropical disease therapeutics

Published

Hit-to-lead optimization of kinase-targeted inhibitors of Trypanosoma brucei growth

Published

Structure-Based Lead Optimization with Synthetic Accessibility in Computer-Aided Drug Design

by Fang-Yu Lin, 林芳宇
Published 2011

Antibody-drug conjugates: integrated bioanalytical and biodisposition assessments in lead optimization and selection

by Maribel Beaumont, Daniela Tomazela, Douglas Hodges, Grigori Ermakov, Edward Hsieh, Isabel Figueroa, On-Yee So, Yaoli Song, Huiping Ma, Svetlana Antonenko, Wondwessen Mengesha, Yi Wei Zhang, Shuli Zhang, SuChun Hseih, Gulesi Ayanoglu, Xiaoyan Du, Eric Rimmer, Michael Judo, Franklin Vives, Jennifer H. Yearley, Christina Moon, Anthony Manibusan, Nick Knudsen, Andy Beck, Damien Bresson, Dennis Gately, Divas Neupane, Enrique Escandón
Published 2018-08-01

Phenocopy--a strategy to qualify chemical compounds during hit-to-lead and/or lead optimization.

by Patrick Baum, Ramona Schmid, Carina Ittrich, Werner Rust, Katrin Fundel-Clemens, Susanne Siewert, Martin Baur, Lisa Mara, Lore Gruenbaum, Armin Heckel, Roland Eils, Roland E Kontermann, Gerald J Roth, Florian Gantner, Andreas Schnapp, John E Park, Andreas Weith, Karsten Quast, Detlev Mennerich
Published 2010-12-01

Which compound to select in lead optimization? Prospectively validated proteochemometric models guide preclinical development.

by Gerard J P van Westen, Jörg K Wegner, Peggy Geluykens, Leen Kwanten, Inge Vereycken, Anik Peeters, Adriaan P Ijzerman, Herman W T van Vlijmen, Andreas Bender
Published 2011-01-01

Total Synthesis and Conformational Analysis of Naturally Occurring Lipovelutibols along with Lead Optimization of Lipovelutibol D

by Varun Pratap Singh, Anup Singh Pathania, Sonia Sharma, Fayaz Ahmed Malik, Anil Kumar, Deepika Singh, Ram A. Vishwakarma
Published 2021-02-01

Protocol for hit-to-lead optimization of compounds by auto in silico ligand directing evolution (AILDE) approach

by Longcan Mei, Fengxu Wu, Gefei Hao, Guangfu Yang
Published 2021-03-01

Computational Insights on the Potential of Some NSAIDs for Treating COVID-19: Priority Set and Lead Optimization

by Ayman Abo Elmaaty, Mohammed I. A. Hamed, Muhammad I. Ismail, Eslam B. Elkaeed, Hamada S. Abulkhair, Muhammad Khattab, Ahmed A. Al-Karmalawy
Published 2021-06-01

AutoGrow4: an open-source genetic algorithm for de novo drug design and lead optimization

by Jacob O. Spiegel, Jacob D. Durrant
Published 2020-04-01

A web server for lead optimization using site‐moiety map：A case study on neuraminidase

by Huang,Yu-Che, 黃御哲
Published 2011

Computer-aided lead optimization: improved small-molecule inhibitor of the zinc endopeptidase of botulinum neurotoxin serotype A.

by Jing Tang, Jewn Giew Park, Charles B Millard, James J Schmidt, Yuan-Ping Pang
Published 2007-08-01